SCHEMBL537759

SCHEMBL537759

Clc1cccc2c1OC1(CCNCC1)CC2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.50
HTR2B P41595 3/20 0.50
TRPM8 Q7Z2W7 7/20 0.46
PNMT P11086 1/20 0.41
OPRD1 P41143 1/20 0.36
AHR P35869 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ADRA2A P08913 1/20 0.34

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
Hydrochloric Acid SCHEMBL3708253 0.98 HTR2C (0.49) HTR2CHTR2BTRPM8PNMTOPRD1
Hydrochloric Acid SCHEMBL10502304 0.85 HTR2C (0.49) HTR2CHTR2BTRPM8PNMTOPRD1
SCHEMBL13770570 0.84 TRPM8 (0.49) HTR2CHTR2BTRPM8PNMTAHR
SCHEMBL4445191 0.80 HTR2C (0.50) HTR2CHTR2BTRPM8OPRD1ADRA2A
SCHEMBL4454657 0.78 HTR2C (0.41) HTR2CHTR2BPNMTOPRD1ADRA2A
SCHEMBL1589928 0.78 HTR2C (0.48) HTR2CHTR2BPNMTOPRD1TAAR1
Hydrochloric Acid SCHEMBL1591008 0.76 HTR2C (0.47) HTR2CHTR2BPNMTOPRD1TAAR1
SCHEMBL20271017 0.74 HTR2C (0.33) HTR2CHTR2BTRPM8PNMT
SCHEMBL538019 0.74 TRPM8 (0.51) HTR2CHTR2BTRPM8
SCHEMBL471621 0.74 SIGMAR1 (0.53) HTR2CHTR2BTRPM8OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9168248-B2 Spiro compounds useful as inhibitors of stearoyl-coenzyme A delta-9 desaturase MERCK CANADA INC. (CA) 2015-10-27 US disclosed
US-9168248-B2 Spiro compounds useful as inhibitors of stearoyl-coenzyme A delta-9 desaturase MERCK CANADA INC. (CA) 2015-10-27 US disclosed
EP-2398809-B1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC (CA) 2015-07-08 EP disclosed
EP-2414366-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE Novartis AG (CH) 2012-02-08 EP disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
US-20110312952-A1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. 2011-12-22 US disclosed
US-20110312952-A1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. 2011-12-22 US disclosed
WO-2010112520-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2010-10-07 WO disclosed
WO-2010103381-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES AS TRPM 8 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-16 WO disclosed
WO-2010103381-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES AS TRPM 8 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-16 WO disclosed
WO-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO 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-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 HTR2C 3206/4885HTR2B 4016/4885TRPM8 1824/4885
US-20110312952-A1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 HTR2C 4507/4885HTR2B 4149/4885TRPM8 4113/4885

“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.