SCHEMBL6919744

SCHEMBL6919744

Cc1cccc(C(=O)NC2=CCC([C@@H]3CCCNC3)C=C2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6921012 0.87 ADCY1 (0.41) RAB9ATP53
SCHEMBL6919988 0.87 NPC1 (0.40) NPC1RAB9AKMT2A
SCHEMBL6919519 0.85 CCNA2 (0.43) KCNK3
SCHEMBL6920622 0.84 TAS1R3 (0.39)
SCHEMBL6919817 0.84 NPC1 (0.39) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL6921656 0.81 PRKAB2 (0.39)
SCHEMBL6919776 0.81 PLK1 (0.36)
SCHEMBL6920309 0.80 TAAR1 (0.48) KCNH2
SCHEMBL6920414 0.80 SLC6A3 (0.44) KCNH2
SCHEMBL6919735 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPC1 937/4885RAB9A 1592/4885MEN1 1920/4885

“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.