SCHEMBL3765737

SCHEMBL3765737

COc1cccc(-c2cncc(OCC3(C(NC(=O)O)C(C)(C)C)CC3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.40
CNR2 P34972 1/20 0.39
WNT3A P56704 1/20 0.39
TYRO3 Q06418 1/20 0.39
AVPR1B P47901 1/20 0.38
BRD4 O60885 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CTSA P10619 3/20 0.37
ALOX5AP P20292 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FFAR1 O14842 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
PTGER4 P35408 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL3765822 0.91 XDH (0.40) WNT3ATYRO3ALOX5APDHODHPORCN
SCHEMBL3778996 0.91 KDR (0.37) KDRCNR2WNT3ACTSAGSK3B
SCHEMBL3774460 0.90 CTSA (0.42) WNT3ACYP11B1CYP11B2CTSAALOX5AP
SCHEMBL3774122 0.90 XDH (0.39) KDRCNR2AVPR1BCTSAGSK3B
SCHEMBL3780461 0.87 AKT1 (0.46) CYP11B2
SCHEMBL3772252 0.87 EGLN1 (0.41) CNR2BRD4CYP11B2CTSA
SCHEMBL3771008 0.87 CHRNB1 (0.47) RAB9AITGB3ITGA2B
SCHEMBL3771012 0.87 CHRNB1 (0.47) RAB9AITGB3ITGA2B
SCHEMBL3774163 0.85 CTSA (0.39) CNR2WNT3ACTSANPC1RAB9A
SCHEMBL3771510 0.85 CTSA (0.36) CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG KDR 172/4885CNR2 28/4885WNT3A 1793/4885

“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.