SCHEMBL1697354

SCHEMBL1697354

Cn1cccc1C(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
PKM P14618 1/20 0.46
MAOB P27338 2/20 0.45
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27765076 0.85 RAB9A (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1518200 0.83 RAB9A (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL8888411 0.82 RAB9A (0.51) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL22952562 0.81 RAB9A (0.46) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9337819 0.78 RAB9A (0.61) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL526662 0.78 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL80996 0.76
SCHEMBL335459 0.76
SCHEMBL27827575 0.76
SCHEMBL6473542 0.75 HSD17B10 (0.46) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2017-08-31 US disclosed
US-9670151-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2017-06-06 US disclosed
US-20160271270-A1 BIFUNCTIONAL CYTOTOXIC AGENTS CONTAINING THE CTI PHARMACOPHORE PFIZER INC. (US) 2016-09-22 US disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2015-09-24 US disclosed
US-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 US disclosed
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-01-01 US disclosed
US-20080293751-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2008-11-27 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
US-7312359-B2 2-(5-Benzenesulfonyl-indan-1-yl)-ethylamine, used as selective serotonin receptor antagonists for treatment of nervous system and gastrointestinal disorders ROCHE PALO ALTO LLC (US) 2007-12-25 US disclosed
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC 2007-12-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof HTR6, TPH1, HTR1B RAB9A 2639/4885NPC1 1038/4885SMN1; SMN2 825/4885
US-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 RAB9A 3080/4885NPC1 1793/4885SMN1; SMN2 639/4885
US-20160271270-A1 BIFUNCTIONAL CYTOTOXIC AGENTS CONTAINING THE CTI PHARMACOPHORE CCNI, TTI1, TTI2 RAB9A 1310/4885NPC1 1559/4885SMN1; SMN2 2292/4885
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 RAB9A 3172/4885NPC1 4527/4885SMN1; SMN2 3827/4885
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ARSA, AR, SULT2A1 RAB9A 1181/4885NPC1 422/4885SMN1; SMN2 662/4885
US-20090111828-A1 L-ALANINE DERIVATIVES ITGA2B, ITGB1, ITGB5 RAB9A 1372/4885NPC1 4213/4885SMN1; SMN2 1612/4885
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 RAB9A 2683/4885NPC1 88/4885SMN1; SMN2 3339/4885
US-20090005387-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC RAB9A 2534/4885NPC1 295/4885SMN1; SMN2 3674/4885
US-20080293751-A1 Tetralin and indane derivatives and uses thereof INSRR, RIF1, TTR RAB9A 2399/4885NPC1 958/4885SMN1; SMN2 2276/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP RAB9A 2444/4885NPC1 664/4885SMN1; SMN2 4112/4885
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 RAB9A 4254/4885NPC1 3831/4885SMN1; SMN2 3081/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 RAB9A 2715/4885NPC1 1972/4885SMN1; SMN2 479/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 RAB9A 1211/4885NPC1 4435/4885SMN1; SMN2 3292/4885
US-20150266817-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR RAB9A 2399/4885NPC1 958/4885SMN1; SMN2 2276/4885
US-20170247321-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 RAB9A 1990/4885NPC1 474/4885SMN1; SMN2 152/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.