SCHEMBL4502101

SCHEMBL4502101

c1ccc2c(c1)CCCCCNC2

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD44 P16070 2/20 0.68
▸ PNMT P11086 1/20 0.68
▸ MAOB P27338 1/20 0.68
▸ TSHR P16473 1/20 0.56
▸ HTR2C P28335 7/20 0.50
▸ HTR2B P41595 1/20 0.47
▸ HTR2A P28223 2/20 0.44
▸ RYR2 Q92736 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL4503618 0.98 CD44 (0.71) CD44PNMTMAOBTSHRHTR2C
SCHEMBL233066 0.91 PNMT (0.74) CD44PNMTMAOBTSHRHTR2C
1,2,3,4-Tetrahydroisoquinoline SCHEMBL8723566 0.89 PNMT (0.79) CD44PNMTMAOBHTR2CDRD2
Ammonia Solution, Strong SCHEMBL20359732 0.89 PNMT (0.71) CD44PNMTMAOBTSHRHTR2C
Hydrochloric Acid SCHEMBL2876610 0.89 PNMT (0.71) CD44PNMTMAOBTSHRHTR2C
1,2,3,4-Tetrahydroisoquinoline SCHEMBL18419929 0.87 PNMT (0.83) CD44PNMTMAOBHTR2CDRD2
Piperidine SCHEMBL6646682 0.84 HTR2C (0.64) CD44PNMTMAOBTSHRHTR2C
SCHEMBL23555060 0.83 PNMT (0.83) CD44PNMTMAOBHTR2CDRD2
SCHEMBL4502828 0.82 HTR2C (0.76) CD44PNMTMAOBTSHRHTR2C
Pyrrolidine SCHEMBL28891967 0.81 HTR2C (0.67) CD44PNMTMAOBTSHRHTR2C

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 45 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-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 — — US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 — — 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
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 — — US disclosed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 — — US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 — — US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 — — US disclosed
WO-1998031356-A1 IDEBENONE CONTAINING COMBINATION AGENT FOR TREATING ALZHEIMER'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-23 — — WO 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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT CD44 1818/4885PNMT 65/4885MAOB 53/4885
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-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A CD44 4784/4885PNMT 159/4885MAOB 233/4885

“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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