SCHEMBL1162855

SCHEMBL1162855

NC(=O)[C@H]1C[C@@H](O)CN1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.62
MAOB P27338 6/20 0.62
SPHK1 Q9NYA1 1/20 0.47
GRM2 Q14416 1/20 0.47
MAPT P10636 1/20 0.47
MC3R P41968 1/20 0.46
MC1R Q01726 1/20 0.46
SIRT1 Q96EB6 1/20 0.45
GRM6 O15303 1/20 0.45
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL27508562 1.00 MAOA (0.62) MAOAMAOBSPHK1GRM2MAPT
SCHEMBL6545054 0.88 CD274 (0.50) MAOAMAOBMAPTGRM6KDM4E
SCHEMBL8044343 0.88 CD274 (0.50) MAOAMAOBMAPTGRM6KDM4E
SCHEMBL20745515 0.88 CD274 (0.50) MAOAMAOBMAPTGRM6KDM4E
SCHEMBL9218563 0.88 CD274 (0.50) MAOAMAOBMAPTGRM6KDM4E
SCHEMBL5067829 0.88 CD274 (0.50) MAOAMAOBMAPTGRM6KDM4E
Hydrochloric Acid SCHEMBL2495103 0.86 CD274 (0.49) MAOAMAOBMAPTGRM6KDM4E
SCHEMBL11147860 0.85 SPHK1 (0.52) MAOAMAOBSPHK1MAPTSIRT1
SCHEMBL7067401 0.84 MAOB (0.64) MAOAMAOBSPHK1SIRT1GRM6
SCHEMBL28218104 0.84 MAOB (0.64) MAOAMAOBSPHK1SIRT1GRM6

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-20110034469-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 US disclosed
WO-2011016576-A1 ALANINE DERIVATIVES AS INHIBITORS OF APOPTOSIS PROTEINS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 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-20110034469-A1 Heterocyclic Compound BIRC5, XIAP, BIRC2 MAOA 1889/4885MAOB 2187/4885SPHK1 3599/4885

“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.