SCHEMBL1010010

SCHEMBL1010010

NCCc1cccc2c1OCO2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.46
EED O75530 3/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
MTNR1A P48039 5/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.39

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
SCHEMBL1010573 0.87 MTNR1A (0.55) TAAR1MTNR1AHTR2A
SCHEMBL29467994 0.84 EED (0.46) EEDABCG2KDM4CMTNR1AHTR2A
SCHEMBL700738 0.84 EED (0.46) EEDABCG2KDM4CMTNR1AHTR2A
SCHEMBL30360690 0.81 KDM4C (0.46) EEDABCG2KDM4CMTNR1AHTR2A
SCHEMBL11044001 0.81 EED (0.44) EEDABCG2KDM4CMTNR1AHTR2A
SCHEMBL8096405 0.81 EED (0.44) EEDABCG2KDM4CMTNR1AHTR2A
SCHEMBL4130192 0.81 KDM4C (0.46) EEDABCG2KDM4CMTNR1AHTR2A
SCHEMBL7771835 0.81 KDM4C (0.46) EEDABCG2KDM4CMTNR1AHTR2A
SCHEMBL19772837 0.81 MTNR1A (0.45) EEDABCG2KDM4CMTNR1AHTR2A
SCHEMBL23891754 0.78 MTNR1A (0.48) EEDABCG2KDM4CMTNR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO claimed
CN-107163047-B Sophoridine amine derivative and preparation method and application thereof 中国医学科学院医药生物技术研究所 2021-04-23 CN disclosed
US-20180319812-A1 HETEROCYCLIC COMPOUND ACTION MEDICAL TECHNOLOGIES, LLC 2018-11-08 US disclosed
US-10053468-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-21 US disclosed
US-20170050974-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
EP-3018126-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-05-11 EP disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
US-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 US disclosed
WO-1995007260-A1 TETRAHYDROISOQUINOLINES AS ALPHA-2 ANTAGONISTS AND BIOGENIC AMINE UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1995-03-16 WO disclosed
US-5389638-A Nervous system disorders ABBOTT LABORATORIES (US) 1995-02-14 US disclosed
US-5231181-A PROCESS FOR THE PREPARATION OF (8AS,12AS,13AS)-DECAHYDROISOQUINO ((2,1-G) (1,6)-NAPHTHYRIDIN-8-ONE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1993-07-27 US disclosed
EP-0505183-A2 Process for the preparation of (8aS,12aS,13aS)-decahydroisoquino[2,1-g][1,6]-naphthyridin-8-one derivatives SYNTEX (U.S.A.) INC. (US) 1992-09-23 EP disclosed
US-5112851-A Agricultural Fungicides SANDOZ LTD. (CH) 1992-05-12 US disclosed
US-4939148-A Amine derivatives, processes for their production and their use SANDOZ, LTD. (CH) 1990-07-03 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 (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-10053468-B2 Heterocyclic compound RORC, RORB, RORA TAAR1 941/4885EED 249/4885ABCG2 2345/4885
US-20170050974-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA TAAR1 941/4885EED 249/4885ABCG2 2345/4885
US-20180319812-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA TAAR1 941/4885EED 249/4885ABCG2 2345/4885
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 TAAR1 259/4885EED 1386/4885ABCG2 2197/4885
US-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 TAAR1 1895/4885EED 1892/4885ABCG2 864/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A TAAR1 1212/4885EED 3360/4885ABCG2 529/4885

“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.