SCHEMBL10197543

SCHEMBL10197543

O=C(Nc1ccccc1)N1CCc2cc(Br)ccc21

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
RAB9A P51151 5/20 0.70
NFKB1 P19838 4/20 0.70
NFKB2 Q00653 4/20 0.70
RELA Q04206 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
PKM P14618 3/20 0.70
TP53 P04637 2/20 0.70
HTR2C P28335 8/20 0.58
HTR2A P28223 7/20 0.58
HTR2B P41595 2/20 0.58
MAPT P10636 4/20 0.54
MAOB P27338 1/20 0.54
DGAT1 O75907 1/20 0.53
PTPN11 Q06124 1/20 0.52
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51

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
SCHEMBL8529483 0.85 HTR2C (0.76) HTR2CHTR2A
SCHEMBL3029174 0.84 NPC1 (0.70) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL14826631 0.84 HTR2C (0.74) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL15879125 0.83 NPC1 (0.78) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL382910 0.83 NPC1 (1.00) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL14811277 0.80 TP53 (0.61) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL12077343 0.80 ADRB2 (0.55) HTR2CHTR2AHTR2BMAPTADRB2
SCHEMBL3036883 0.80 HTR2C (0.76) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL288802 0.79 SLC22A12 (0.59) NPC1
SCHEMBL30679189 0.79 HPGD (0.68) NPC1RAB9ASMN1; SMN2TP53

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
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT NPC1 271/4885RAB9A 2944/4885NFKB1 3952/4885

“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.