SCHEMBL3516698

SCHEMBL3516698

O=CCCc1ccc(-c2ccc(F)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.46
KCNH2 Q12809 2/20 0.44
NPC1 O15118 7/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 2/20 0.42
AURKA O14965 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
PIM1 P11309 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK8 P45983 1/20 0.42
CDK8 P49336 1/20 0.42
MAP2K1 Q02750 1/20 0.42

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
SCHEMBL3822972 0.85 NPC1 (0.46) BRS3KCNH2NPC1RXFP1CYP11B1
SCHEMBL1844388 0.81 CCR1 (0.46) NPC1CYP11B1CYP11B2AURKAABL1
SCHEMBL1842465 0.79 MAOB (0.53) L3MBTL1
SCHEMBL9805398 0.79 RAB9A (0.51) NPC1CYP11B1SMN1; SMN2RAB9ATP53
SCHEMBL9805528 0.79 RAB9A (0.51) NPC1CYP11B1SMN1; SMN2RAB9ATP53
SCHEMBL19407055 0.79 SMN1; SMN2 (0.56) BRS3KCNH2NPC1RXFP1CYP11B1
SCHEMBL9805437 0.78 RAB9A (0.61) NPC1CYP11B1SMN1; SMN2RAB9ATP53
SCHEMBL9805471 0.78 RAB9A (0.65) NPC1CYP3A4SMN1; SMN2RAB9ATP53
SCHEMBL9805639 0.78 RAB9A (0.65) NPC1CYP3A4SMN1; SMN2RAB9ATP53
SCHEMBL65960 0.77 TAAR1 (0.50) KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
EP-2083623-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
WO-2008051405-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
WO-2008051405-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR BRS3 1/4885KCNH2 1063/4885NPC1 1538/4885

“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.