SCHEMBL1753469

SCHEMBL1753469

CN1CCCC2(CCN(C)C2)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.53
CYP3A4 P08684 9/20 0.49
TSHR P16473 6/20 0.49
CYP2D6 P10635 4/20 0.49
CYP1A2 P05177 2/20 0.49
HSD17B10 Q99714 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 3/20 0.44
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 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
SCHEMBL1753690 0.95 USP2 (0.52) USP2CYP3A4TSHRCYP2D6CYP1A2
SCHEMBL1753496 0.92 USP2 (0.56) USP2CYP3A4TSHRCYP2D6CYP1A2
SCHEMBL1753720 0.89 CYP3A4 (0.42) USP2CYP3A4TSHRCYP2D6CYP1A2
SCHEMBL12946060 0.86
SCHEMBL9917029 0.86
SCHEMBL1753865 0.86 USP2 (0.50) USP2CYP3A4TSHRCYP2D6CYP1A2
SCHEMBL10176812 0.86 USP2 (0.50) USP2CYP3A4TSHRCYP2D6CYP1A2
SCHEMBL9966035 0.86 USP2 (0.55) USP2CYP3A4TSHRCYP2D6CYP1A2
SCHEMBL4400144 0.86 USP2 (0.55) USP2CYP3A4TSHRCYP2D6CYP1A2
SCHEMBL20384048 0.86 CYP3A4 (0.44) USP2CYP3A4TSHRCYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073371-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 US disclosed
EP-4289428-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Applied Pharmaceutical Science, Inc. (CN) 2023-12-13 EP disclosed
WO-2023133229-A2 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-07-13 WO disclosed
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
WO-2023064880-A1 COMPOUNDS AND METHODS FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC. (US) 2023-04-20 WO disclosed
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 US disclosed
WO-2022090711-A1 COMPOUNDS AS CD73 INHIBITORS AdoRx Therapeutics Limited (GB) 2022-05-05 WO disclosed
US-11220517-B2 Spiro bicyclic inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-01-11 US disclosed
US-20210186959-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2021-06-24 US disclosed
US-8158643-B2 Substituted diaza-spiro-pyridinone derivatives for use in MCH-1 mediated diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20100197664-A1 NOVEL B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
US-7612056-B2 schizophrenia, emesis, anxiety and depression, irritable bowel syndrome (IBS), circadian rhythm disturbances, pre-eclampsia, nociception, neuropathic pain, pancreatitis, neurogenic inflammation, asthma, chronic obstructive pulmonary disease (COPD) and urinary incontinence JENSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
US-20070275990-A1 Heterocyclic Spiro Compound ONO PHARMACEUTICAL CO., LTD. 2007-11-29 US disclosed
US-20070254904-A1 Substituted Diaza-Spiro-[4.5]-Decane Derivatives and Their Use as Neurokinin Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 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 (11 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-11220517-B2 Spiro bicyclic inhibitors of menin-MLL interaction BMI1, MLLT1, MEN1 USP2 4758/4885CYP3A4 3557/4885TSHR 4515/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 USP2 4870/4885CYP3A4 56/4885TSHR 658/4885
US-20100197664-A1 NOVEL B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB USP2 4670/4885CYP3A4 2888/4885TSHR 321/4885
US-20070275990-A1 Heterocyclic Spiro Compound NR3C2, CBR1, CBR3 USP2 4846/4885CYP3A4 888/4885TSHR 254/4885
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 USP2 1538/4885CYP3A4 1486/4885TSHR 3599/4885
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES MCHR1, MCHR2, MC1R USP2 4764/4885CYP3A4 2263/4885TSHR 388/4885
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN USP2 4542/4885CYP3A4 828/4885TSHR 3261/4885
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 USP2 3338/4885CYP3A4 2763/4885TSHR 2915/4885
US-20210186959-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF USP2 3575/4885CYP3A4 3158/4885TSHR 1461/4885
US-20070254904-A1 Substituted Diaza-Spiro-[4.5]-Decane Derivatives and Their Use as Neurokinin Antagonists NPSR1, PROKR2, PROKR1 USP2 3917/4885CYP3A4 1557/4885TSHR 1387/4885
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF USP2 3575/4885CYP3A4 3158/4885TSHR 1461/4885

“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.