SCHEMBL2393040

SCHEMBL2393040

O=C(c1ccc(C2CC2)c(-c2ccccc2)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.58
SPR P35270 1/20 0.52
ROCK2 O75116 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
SCD5 Q86SK9 4/20 0.48
SCD O00767 2/20 0.48
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
HSD11B1 P28845 2/20 0.46
CYP46A1 Q9Y6A2 1/20 0.45
PROKR1 Q8TCW9 1/20 0.45
CYP2C9 P11712 1/20 0.44
SLC9A1 P19634 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CCR5 P51681 1/20 0.44

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
SCHEMBL2388720 0.92 NAMPT (0.61) NAMPTSPRROCK2NPC1RAB9A
SCHEMBL2389112 0.89 NAMPT (0.59) NAMPTSPRROCK2NPC1RAB9A
SCHEMBL2392419 0.89 NAMPT (0.59) NAMPTSPRROCK2NPC1RAB9A
SCHEMBL2388534 0.88 NAMPT (0.58) NAMPTSPRROCK2NPC1RAB9A
SCHEMBL2391606 0.86 NAMPT (0.61) NAMPTSPRROCK2NPC1RAB9A
SCHEMBL2387066 0.86 NAMPT (0.64) NAMPTSPRROCK2NPC1RAB9A
SCHEMBL2388346 0.86 NAMPT (0.58) NAMPTSPRROCK2NPC1RAB9A
SCHEMBL2391089 0.85 NAMPT (0.56) NAMPTSPRROCK2NPC1RAB9A
SCHEMBL2388608 0.85 NAMPT (0.64) NAMPTSPRNPC1RAB9AATM
SCHEMBL2388247 0.84 ROCK2 (0.70) NAMPTSPRROCK2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP claimed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US claimed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US claimed
EP-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 NAMPT 2170/4885SPR 2765/4885ROCK2 1766/4885

“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.