SCHEMBL4371802

SCHEMBL4371802

NCC1Cc2ccccc2N1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTR2A P28223 3/20 0.42
RET P07949 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
AR P10275 1/20 0.39
PNMT P11086 2/20 0.39
CREBBP Q92793 2/20 0.39
BRD4 O60885 1/20 0.39
MTNR1A P48039 3/20 0.38

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
SCHEMBL18402760 1.00 GAA (0.46) GAAMAPTHTR2ARETHTR2C
Hydrochloric Acid SCHEMBL27699649 0.98 GAA (0.44) GAAMAPTHTR2ARETHTR2C
SCHEMBL7381467 0.85 HTR2A (0.46) GAAMAPTHTR2AHRH1AR
SCHEMBL11426860 0.82 GAA (0.47) GAAMAPTARPNMTCREBBP
SCHEMBL3972852 0.81 MTNR1A (0.52) GAAMAPTHTR2ARETHTR2C
SCHEMBL8907137 0.80 GAA (0.46) GAAMAPTARPNMTCREBBP
SCHEMBL2450511 0.80 CREBBP (0.59) GAAMAPTARPNMTCREBBP
SCHEMBL22955423 0.80 CREBBP (0.59) GAAMAPTARPNMTCREBBP
SCHEMBL1193549 0.80 CREBBP (0.59) GAAMAPTARPNMTCREBBP
SCHEMBL550431 0.80 CREBBP (0.59) GAAMAPTARPNMTCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108822690-A Keep the temperature corrosion-resistant coating container, container keeps the temperature corrosion-resistant coating process 上海鸣昂机械科技有限公司 2018-11-16 CN claimed
CN-103467355-A Preparation method of indapamide DISHA PHARMACEUTICAL GROUP CO 2013-12-25 CN claimed
CN-101029017-A Production indapamide HUAHAI PHARMACEUTICAL CO LTD Z (CN) 2007-09-05 CN claimed
EP-0001546-A1 2-Guanidinomethyl-indolines, method for their preparation and their pharmaceutical use Merck Patent GmbH (DE) 1979-05-02 EP claimed
US-20170340749-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-11-30 US disclosed
EP-1867654-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL NAGOYA IND SCIENCE RES INST (JP) 2014-06-11 EP disclosed
CN-103467355-A Preparation method of indapamide DISHA PHARMACEUTICAL GROUP CO 2013-12-25 CN disclosed
US-8212037-B2 Process for production of optically active quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-03 US disclosed
CN-101215256-B 2-methylamino(4,7-dihydroindole) compound, synthetic method and use thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2011-12-07 CN disclosed
US-20090216019-A1 Process for Production of Optically Active Quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA 2009-08-27 US disclosed
EP-1867654-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL Nagoya Industrial Science Research Institute (JP) 2007-12-19 EP disclosed
CN-101029017-A Production indapamide HUAHAI PHARMACEUTICAL CO LTD Z (CN) 2007-09-05 CN disclosed
US-5616586-A Tricyclic quinoxalinediones SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-04-01 US disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed
EP-0642508-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-03-15 EP disclosed
WO-1993008188-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-04-29 WO disclosed
US-4260628-A 2-Guanidinomethyl-indolines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-04-07 US disclosed
EP-0001546-A1 2-Guanidinomethyl-indolines, method for their preparation and their pharmaceutical use Merck Patent GmbH (DE) 1979-05-02 EP disclosed
EP-0001546-A1 2-Guanidinomethyl-indolines, method for their preparation and their pharmaceutical use Merck Patent GmbH (DE) 1979-05-02 EP disclosed
US-3980797-A Hexahydro-diazepino-indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-09-14 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 (2 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-20170340749-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 GAA 2047/4885MAPT 4072/4885HTR2A 1035/4885
US-20090216019-A1 Process for Production of Optically Active Quinuclidinols NQO2, ADH7, MRPL21 GAA 503/4885MAPT 2486/4885HTR2A 4363/4885

“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.