SCHEMBL3514622

SCHEMBL3514622

CCNCc1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.65
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
TAAR1 Q96RJ0 3/20 0.52
HDAC1 Q13547 1/20 0.51
LMNA P02545 1/20 0.51
PNMT P11086 2/20 0.50
ACHE P22303 4/20 0.46

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
SCHEMBL29868670 1.00 CHRM2 (0.65) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL28578179 0.98 CHRM2 (0.62) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7066938 0.87 CHRM2 (0.74) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5909429 0.85 PARP1 (0.47) CHRM2CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL21674322 0.85 CHRM2 (0.71) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7774786 0.83 CHRM2 (0.81) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL31169761 0.83 CHRM2 (0.69) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13975775 0.82 CHRM2 (0.77) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL15110660 0.82 CHRM2 (0.67) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13973164 0.81 CYP19A1 (0.63) CYP1A2CYP3A4LMNA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447334-A Method for efficiently synthesizing alpha-amino acetal 南京工业大学 2024-01-26 CN claimed
CN-117447334-A Method for efficiently synthesizing alpha-amino acetal 南京工业大学 2024-01-26 CN disclosed
WO-2020247540-A1 ADENOSINE ANALOGS FOR THE TREATMENT OF DISEASE BIOINTERVENE, INC. (US) 2020-12-10 WO disclosed
US-10093630-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
US-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME LLC 2018-07-05 US disclosed
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-20170298090-A1 Modulators of ROR-gamma Receptors, Composition and Use Thereof KULING THERAPEUTICS (CN) 2017-10-19 US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 WO disclosed
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-7482359-B2 Androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 US disclosed
US-7354919-B2 Isoxazole compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-08 US disclosed
US-20070293511-A1 Crf Receptor Antagonists and Methods SB PHARMCO PUERTO RICO INC. AND NEUROCRINE BIOSCIENCES, INC., A CORPORATION 2007-12-20 US disclosed
US-20070269405-A1 Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2007-11-22 US disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 WO disclosed
CN-1376155-A Thiourea and isothiourea derivatives for inhibiting RAS-transformed cell growth YUHAN CORP (KR) 2002-10-23 CN 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 (9 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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 CHRM2 4682/4885CYP1A2 1412/4885CYP3A4 976/4885
US-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 CHRM2 4591/4885CYP1A2 1840/4885CYP3A4 2199/4885
US-20070293511-A1 Crf Receptor Antagonists and Methods CRHR1, CRHR2, CRH CHRM2 378/4885CYP1A2 977/4885CYP3A4 1101/4885
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 CHRM2 4591/4885CYP1A2 1840/4885CYP3A4 2199/4885
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE IRAK1, IRAK2, IRAK3 CHRM2 4316/4885CYP1A2 4611/4885CYP3A4 4694/4885
US-20070269405-A1 Androgen Receptor Modulators AR, SHBG, FSHR CHRM2 803/4885CYP1A2 972/4885CYP3A4 2087/4885
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL CHRM2 3822/4885CYP1A2 896/4885CYP3A4 857/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 CHRM2 4682/4885CYP1A2 1412/4885CYP3A4 976/4885
US-20170298090-A1 Modulators of ROR-gamma Receptors, Composition and Use Thereof RORC, RORB, RORA CHRM2 1088/4885CYP1A2 1954/4885CYP3A4 3368/4885

“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.