SCHEMBL3577595

SCHEMBL3577595

O=C(NCCc1ccc(Cl)cc1)c1ccc(C2CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.68
RAB9A P51151 5/20 0.68
CYP2D6 P10635 2/20 0.68
GAA P10253 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
MAPT P10636 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.68
GFER P55789 1/20 0.68
MCHR1 Q99705 6/20 0.61
CHRM1 P11229 2/20 0.58
HTR2A P28223 2/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
NAMPT P43490 1/20 0.56
ALDH1A1 P00352 2/20 0.54
FABP2 P12104 1/20 0.54
PPARG P37231 1/20 0.54
PPARD Q03181 1/20 0.54
PPARA Q07869 1/20 0.54

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
SCHEMBL3573449 0.95 NPC1 (0.64) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL8668493 0.81 NPC1 (1.00) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL1368482 0.81 NPC1 (1.00) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL661514 0.80 DGAT1 (0.59) SMN1; SMN2CYP1A2ALDH1A1NFKB1
SCHEMBL96062 0.80 NPC1 (0.75) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL1570073 0.80 NPC1 (0.75) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL1367702 0.80 NPC1 (0.75) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL27842419 0.80 NPC1 (0.75) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL2987921 0.80 NPC1 (0.75) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL1922930 0.79 RAB9A (0.74) NPC1RAB9ACYP2D6GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP NPC1 6/4885RAB9A 3309/4885CYP2D6 469/4885

“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.