SCHEMBL4155667

SCHEMBL4155667

CCOC(=O)c1cc(N)cc(C2=C(Br)CCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
CYP1A2 P05177 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
ATM Q13315 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL5620048 0.87 CA12 (0.43) NPC1CYP1A2LMNACYP3A4MAOA
SCHEMBL5620394 0.85 ATAD2 (0.46) NPC1LMNACA12CA1CA2
SCHEMBL4147738 0.85 CA12 (0.41) NPC1CYP1A2LMNACYP3A4MAOA
SCHEMBL4162371 0.81 GALR1 (0.52) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL5621506 0.80 CA12 (0.50) NPC1CYP1A2LMNACYP3A4MAOA
SCHEMBL5620327 0.80 CYP2C19 (0.52) CYP1A2LMNACYP3A4ATMMAPT
SCHEMBL5620232 0.76 ALDH1A1 (0.47) NPC1CYP1A2LMNACA12CA1
SCHEMBL2725407 0.76 NPC1 (0.60) NPC1CYP1A2LMNACYP3A4MAOA
SCHEMBL29944879 0.76 NPC1 (0.60) NPC1CYP1A2LMNACYP3A4MAOA
SCHEMBL1278720 0.75 NPC1 (0.68) NPC1CYP1A2LMNACYP3A4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
EP-1670763-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037793-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B NPC1 474/4885CYP1A2 72/4885LMNA 1174/4885

“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.