SCHEMBL13201797

SCHEMBL13201797

COc1nc(C)c(-c2cccc(F)c2)s1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.50
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40
POLQ O75417 1/20 0.40
TRPM8 Q7Z2W7 5/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RPS6KB1 P23443 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
SCHEMBL8084337 0.84 ALOX5 (0.41) ADORA3POLQMAPTLMNATP53
SCHEMBL11916730 0.82 F2RL3 (0.50) F2RL3ADORA3GPR52POLQTRPM8
SCHEMBL12728512 0.81 ALOX5 (0.46) F2RL3MAPTCDK2KDM4EMEN1
SCHEMBL327274 0.81 CDK4 (0.51) ADORA3GPR52TRPM8MAPTCDK4
SCHEMBL3976157 0.78 TRPM8 (0.47) GPR52TRPM8MAPTKDM4EMEN1
SCHEMBL9955315 0.78 TRPM8 (0.44) ADORA3GPR52TRPM8MAPTLMNA
SCHEMBL8084192 0.78 MAPT (0.51) GPR52TRPM8MAPTLMNAKDM4E
SCHEMBL2632548 0.76 CA12 (0.42) ADORA3GPR52TRPM8MAPTCDK4
SCHEMBL7948630 0.74 GPR52 (0.39) ADORA3GPR52TRPM8MAPTKDM4E
SCHEMBL16806021 0.73 TRPM8 (0.51) ADORA3TRPM8MAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 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 (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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 F2RL3 1645/4885PDGFRB 1796/4885PDGFRA 2001/4885

“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.