SCHEMBL5146565

SCHEMBL5146565

Cc1ccc2c(c1)CC(=O)CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.44
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
POLB P06746 2/20 0.42
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
PARP10 Q53GL7 2/20 0.40
PARP11 Q9NR21 1/20 0.40
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL17037968 0.96 METAP1 (0.44) METAP1RAB9ANPC1POLBCYP2A6
SCHEMBL12430501 0.92 METAP1 (0.44) METAP1RAB9ANPC1POLBCYP2A6
SCHEMBL3847559 0.88 CYP2A6 (0.54) METAP1RAB9APOLBCYP2A6ALDH1A1
SCHEMBL6584911 0.81 METAP1 (0.52) METAP1RAB9APOLBCYP2A6ALDH1A1
SCHEMBL414198 0.81 NPC1 (0.52) METAP1RAB9ANPC1POLBALDH1A1
SCHEMBL1701852 0.80 CYP2A6 (0.54) METAP1CYP2A6ALDH1A1L3MBTL1PARP10
SCHEMBL6195008 0.77 METAP1 (0.44) METAP1CYP2A6ALDH1A1MAPTLMNA
SCHEMBL6936889 0.77 NPC1 (0.42) RAB9ANPC1CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL5143608 0.77 HTR2A (0.46) METAP1POLBCYP2A6ALDH1A1SMN1; SMN2
SCHEMBL8766852 0.77 HSD17B10 (0.44) RAB9ANPC1POLBCYP2A6ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
US-20160320372-A1 CARBOXY X RHODAMINE ANALOGS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-11-03 US disclosed
US-20150260725-A1 CARBOXY X RHODAMINE ANALOGS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2015-09-17 US disclosed
US-9056885-B2 Carboxy X rhodamine analogs PROMEGA CORPORATION (US) 2015-06-16 US disclosed
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
WO-2008039520-A2 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-04-03 WO disclosed
US-20070225528-A1 Process for Producing Optically Active Alcohol NAGOYA INDUSTRIAL SCIENCE RESEARCH CENTER (JP) 2007-09-27 US disclosed
US-7217706-B2 Propanolamine derivatives ASTELLAS PHARMA INC. (JP) 2007-05-15 US disclosed
EP-1741693-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS Nagoya Industrial Science Research Institute (JP) 2007-01-10 EP disclosed
US-20040198791-A1 Fused imidazole derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-07 US disclosed
EP-1382333-A2 Use of beta 3 adrenergic receptor agonists in the treatment of dysuria FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-21 EP disclosed
US-6495546-B1 SUCH AS 1-(N-BENZYL-N-(3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO-CYCLOHEPTEN-6-YL)AMINO)-3-PHENOXY-2-PROPANOL; ADRENERGIC RECEPTOR AGONISTS; ANTIULCEROUS, LIPOLYTIC, ANTIURINARY INCONTINENCE AND ANTIPOLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-20020120148-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-08-29 US disclosed
EP-1070046-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
WO-1999051564-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-14 WO 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 (4 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-20070225528-A1 Process for Producing Optically Active Alcohol ADH1C, ADH1A, ADH5 METAP1 4453/4885RAB9A 2727/4885NPC1 4379/4885
US-20160320372-A1 CARBOXY X RHODAMINE ANALOGS PRCP, CPA3, CPA4 METAP1 1246/4885RAB9A 2300/4885NPC1 1874/4885
US-20040198791-A1 Fused imidazole derivative H1-0, H1-5, H1-3 METAP1 4198/4885RAB9A 2021/4885NPC1 1784/4885
US-20020120148-A1 Propanolamine derivatives AMY2A, PNMT, PNLIP METAP1 161/4885RAB9A 2413/4885NPC1 3445/4885

“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.