SCHEMBL4503618

SCHEMBL4503618

c1ccc2c(c1)CCCCNC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD44 P16070 2/20 0.71
▸ PNMT P11086 1/20 0.71
▸ MAOB P27338 1/20 0.71
▸ TSHR P16473 1/20 0.59
▸ HTR2C P28335 7/20 0.52
▸ HTR2B P41595 1/20 0.49
▸ RYR2 Q92736 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4502101 0.98 CD44 (0.68) CD44PNMTMAOBTSHRHTR2C
SCHEMBL233066 0.93 PNMT (0.74) CD44PNMTMAOBTSHRHTR2C
Ammonia Solution, Strong SCHEMBL20359732 0.91 PNMT (0.71) CD44PNMTMAOBTSHRHTR2C
Hydrochloric Acid SCHEMBL2876610 0.91 PNMT (0.71) CD44PNMTMAOBTSHRHTR2C
1,2,3,4-Tetrahydroisoquinoline SCHEMBL18419929 0.89 PNMT (0.83) CD44PNMTMAOBHTR2CDRD2
1,2,3,4-Tetrahydroisoquinoline SCHEMBL8723566 0.87 PNMT (0.79) CD44PNMTMAOBHTR2CDRD2
SCHEMBL23555060 0.84 PNMT (0.83) CD44PNMTMAOBHTR2CDRD2
SCHEMBL4502828 0.84 HTR2C (0.76) CD44PNMTMAOBTSHRHTR2C
Pyrrolidine SCHEMBL28891967 0.83 HTR2C (0.67) CD44PNMTMAOBTSHRHTR2C
1,2,3,4-Tetrahydroisoquinoline SCHEMBL29360217 0.83 PNMT (1.00) CD44PNMTMAOBHTR2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566069-A1 Tachykinin receptor antagonists, isoquinolones and their production TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 — — EP claimed
US-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
WO-2020228436-A1 AROMATIC RING OR HETEROAROMATIC RING DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2020-11-19 — — WO disclosed
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 — — US disclosed
US-7834182-B2 histamine H3 receptor antagonists; metabolic disorders, sleep disorders, cardiovascular disorders, alcoholism, drug addiction, memory disorders, Alzheimer's, Parkinson's disease; 2-(4-piperidinylpiperidinyl)pyrimidine compounds such as 2-[(4-piperidin-1-yl)piperidin-1-yl]-5-(3-pyridyl)pyrimidine BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 — — US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 — — US disclosed
US-20090203710-A1 Novel piperidine derivative MSD K.K. (JP) 2009-08-13 — — US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 — — US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 — — EP disclosed
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 — — US disclosed
CN-1036458-C Condensed heterocyclic compouds, their production and use — 1997-11-19 — — CN disclosed
EP-0560235-B1 Condensed heterocyclic ketone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-06-04 — — EP disclosed
US-5523305-A ANALGESICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-04 — — US disclosed
US-5462934-A Cholinesterase inhibitor; learning enhancement TAKEDA CHEMICAL INDUSTRIES (JP) 1995-10-31 — — US disclosed
EP-0487071-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-07-05 — — EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 — — EP disclosed
US-5273974-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-28 — — US disclosed
EP-0566069-A1 Tachykinin receptor antagonists, isoquinolones and their production TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 — — EP disclosed
EP-0560235-A1 Condensed heterocyclic ketone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-09-15 — — EP disclosed
EP-0487071-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-27 — — EP 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-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A CD44 4772/4885PNMT 174/4885MAOB 207/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR CD44 1294/4885PNMT 677/4885MAOB 1973/4885
US-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR CD44 4372/4885PNMT 4412/4885MAOB 4347/4885
US-20090203710-A1 Novel piperidine derivative HRH3, OPRM1, HRH4 CD44 1231/4885PNMT 186/4885MAOB 716/4885

“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.

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