SCHEMBL537650

SCHEMBL537650

O=C(O)N1CCC2(CC1)CC(O)c1cccc(Cl)c1O2

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 18/20 0.64
TRPV1 Q8NER1 4/20 0.61
SCD O00767 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL1691354 0.83 TRPM8 (0.59) TRPM8TRPV1
SCHEMBL16496523 0.83 TRPM8 (0.46) TRPM8TRPV1SCDHDAC3HDAC4
SCHEMBL12482018 0.82 SCD (0.49) TRPM8TRPV1SCDHDAC3HDAC4
SCHEMBL3785835 0.81 TRPM8 (0.47) TRPM8TRPV1SCDHDAC3HDAC4
SCHEMBL13188827 0.79 TRPM8 (1.00) TRPM8TRPV1
SCHEMBL13188834 0.79 TRPM8 (0.74) TRPM8TRPV1
SCHEMBL3794699 0.78 TRPM8 (0.50) TRPM8TRPV1
SCHEMBL13188131 0.77 TRPM8 (1.00) TRPM8TRPV1
SCHEMBL13189005 0.76 TRPM8 (0.78) TRPM8TRPV1
SCHEMBL3803441 0.75 TRPM8 (0.55) TRPM8TRPV1SCD

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 5 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110312952-A1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 TRPM8 4113/4885TRPV1 3272/4885SCD 1/4885

“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.