SCHEMBL4514514

SCHEMBL4514514

c1ccc2c(c1)[nH]c1ccc3[nH]ccc3c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.55
GABRD O14764 2/20 0.55
GABRA1 P14867 2/20 0.55
GABRB1 P18505 2/20 0.55
GABRG2 P18507 2/20 0.55
GABRB3 P28472 2/20 0.55
GABRA5 P31644 2/20 0.55
GABRA3 P34903 2/20 0.55
GABRA2 P47869 2/20 0.55
GABRB2 P47870 2/20 0.55
GABRA4 P48169 2/20 0.55
GABRE P78334 2/20 0.55
GABRA6 Q16445 2/20 0.55
GABRG1 Q8N1C3 2/20 0.55
GABRG3 Q99928 2/20 0.55
GABRQ Q9UN88 2/20 0.55
ALDH1A1 P00352 2/20 0.52
GPR3 P46089 1/20 0.52
HSD17B10 Q99714 1/20 0.52
IMPDH2 P12268 1/20 0.52

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
SCHEMBL20836229 0.93 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12219442 0.82 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29380761 0.82 ALDH1A1 (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1635466 0.82 ALDH1A1 (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12240744 0.80 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
Carbazole SCHEMBL29011562 0.80 ALDH1A1 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20836218 0.79 CDK4 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20836236 0.79 CDK4 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21757300 0.78 AHR (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22211849 0.78 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
EP-0885229-B1 FUSED PYRROLO(2,3-C)CARBAZOLE-6-ONES WHICH POTENTIATE ACTIVITY OF GAMMA INTERFERON CEPHALON INC (US) 2000-08-02 EP disclosed
EP-0975624-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
EP-0885229-A1 FUSED PYRROLO(2,3-C)CARBAZOLE-6-ONES WHICH POTENTIATE ACTIVITY OF GAMMA INTERFERON CEPHALON, INC. (US) 1998-12-23 EP disclosed
WO-1998046590-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-22 WO disclosed
WO-1997031002-A1 FUSED PYRROLO(2,3-C)CARBAZOLE-6-ONES WHICH POTENTIATE ACTIVITY OF GAMMA INTERFERON CEPHALON, INC. (US) 1997-08-28 WO disclosed
US-5616724-A FOR POTENTIATION OF HUMAN INTERFERON-GAMMA; IMMUNOLOGY CEPHALON, INC. (US) 1997-04-01 US disclosed
EP-0655451-A1 Tetracyclic condensed heterocyclic compounds for the treatment of senile dementia TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-31 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 (6 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 GABRP 2275/4885GABRD 1581/4885GABRA1 1491/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A GABRP 1957/4885GABRD 3266/4885GABRA1 2795/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE GABRP 1469/4885GABRD 2986/4885GABRA1 2683/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR GABRP 35/4885GABRD 99/4885GABRA1 50/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A GABRP 1951/4885GABRD 3180/4885GABRA1 2708/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE GABRP 1669/4885GABRD 1153/4885GABRA1 1036/4885

“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.