SCHEMBL10003396

SCHEMBL10003396

CCOC(=O)c1nc(-c2ccc(F)cc2)c(CC)nc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.52
▸ GABRA2 P47869 1/20 0.51
▸ GABRB2 P47870 1/20 0.51
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ LMNA P02545 3/20 0.46
▸ PTGS2 P35354 1/20 0.45
▸ ALOX5 P09917 1/20 0.44
▸ ADORA3 P0DMS8 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL10003235 0.87 ADORA3 (0.57) TRPM8GABRA2GABRB2NPC1RAB9A
SCHEMBL10004657 0.79 GABRA2 (0.43) TRPM8GABRA2GABRB2NPC1RAB9A
SCHEMBL10003092 0.76 ALDH1A1 (0.42) TRPM8NPC1RAB9AALDH1A1KDM4E
SCHEMBL23460753 0.76 GABRA2 (0.45) TRPM8GABRA2GABRB2NPC1RAB9A
SCHEMBL31115720 0.75 GABRA2 (0.49) TRPM8GABRA2GABRB2NPC1RAB9A
SCHEMBL10003266 0.75 GABRA2 (0.49) TRPM8GABRA2GABRB2NPC1RAB9A
SCHEMBL10003546 0.73 ADORA3 (0.57) TRPM8GABRA2GABRB2NPC1RAB9A
SCHEMBL10003181 0.73 ADORA3 (0.56) GABRA2GABRB2NPC1RAB9AALDH1A1
SCHEMBL23484393 0.72 ALDH1A1 (0.46) TRPM8GABRA2GABRB2NPC1RAB9A
SCHEMBL2018469 0.72 TSHR (0.54) TRPM8GABRA2GABRB2NPC1RAB9A

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
EP-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — 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 (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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH TRPM8 2370/4885GABRA2 2197/4885GABRB2 1779/4885

“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.

Send feedback