SCHEMBL1753790

SCHEMBL1753790

COc1cc([C@@H](C)NC(=O)c2ccc3nc(C(C)(C)C)ccc3c2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 2/20 0.41
GCGR P47871 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1754350 0.83 TAS1R3 (0.44) TAS1R3TAS1R1MEN1KMT2AROCK2
SCHEMBL1754180 0.79 LMNA (0.47) TAS1R3TAS1R1MEN1KMT2AROCK2
SCHEMBL2330077 0.79 SMN1; SMN2 (0.47) HPGDMEN1KMT2AROCK2ROCK1
SCHEMBL263432 0.78 MAPK1 (0.42) TAS1R3TAS1R1MEN1KMT2AROCK2
SCHEMBL269225 0.78 KMT2A (0.42) MEN1KMT2AROCK2ROCK1LMNA
SCHEMBL263879 0.78 KMT2A (0.42) MEN1KMT2AROCK2ROCK1LMNA
SCHEMBL1753973 0.78 TAS1R3 (0.46) TAS1R3TAS1R1MEN1KMT2AROCK2
SCHEMBL3292156 0.78 TAS1R3 (0.46) TAS1R3TAS1R1MEN1KMT2AROCK2
SCHEMBL1753950 0.78 TAS1R3 (0.46) TAS1R3TAS1R1MEN1KMT2AROCK2
SCHEMBL269222 0.77 MAPK1 (0.41) MEN1KMT2AROCK2ROCK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US claimed
EP-2222631-B1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-08-17 EP claimed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 US claimed
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
EP-2222631-B1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-08-17 EP disclosed
EP-2222631-B1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-08-17 EP disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 US disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 US disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 US disclosed
WO-2008050199-A2 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-02 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-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS TRPV1, P2RY1, TRPV2 HPGD 1716/4885TAS1R3 1191/4885TAS1R1 439/4885

“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.