SCHEMBL538019

SCHEMBL538019

O=C1CC2(CCNCC2)Oc2c(Cl)cccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.51
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
CNR1 P21554 5/20 0.39
CNR2 P34972 4/20 0.39
MAPT P10636 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ATM Q13315 1/20 0.36

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 SCHEMBL1690752 0.99 TRPM8 (0.50) TRPM8HTR2CHTR2BHDAC3HDAC4
SCHEMBL619893 0.87 TRPM8 (0.54) TRPM8CNR1CNR2SIGMAR1ATM
SCHEMBL12482015 0.83 TRPM8 (0.52) TRPM8HTR2CHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL3715122 0.82 TRPM8 (0.51) TRPM8HTR2CHDAC3HDAC4HDAC1
SCHEMBL13188810 0.82 TRPM8 (0.58) TRPM8HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL3721783 0.82 TRPM8 (0.50) TRPM8HDAC3HDAC4HDAC1HDAC7
SCHEMBL13930378 0.80 HDAC3 (0.40) TRPM8HDAC3HDAC4HDAC1HDAC7
SCHEMBL4444741 0.79 HTR2C (0.38) TRPM8HTR2CHTR2BHDAC3HDAC4
Hydrochloric Acid SCHEMBL10502304 0.79 HTR2C (0.49) TRPM8HTR2CHTR2B
SCHEMBL16496123 0.79 TRPM8 (0.64) TRPM8CNR1SIGMAR1

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-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-2010094120-A1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-08-26 WO disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 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 (3 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 TRPM8 1824/4885HTR2C 3206/4885HTR2B 4016/4885
US-20110312952-A1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 TRPM8 4113/4885HTR2C 4507/4885HTR2B 4149/4885
US-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B TRPM8 4519/4885HTR2C 4388/4885HTR2B 4789/4885

“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.