SCHEMBL1597416

SCHEMBL1597416

CC1CCCCN1.Nc1ccc2cccnc2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.39
▸ MCHR1 Q99705 6/20 0.37
▸ CYP2D6 P10635 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ PHLPP2 Q6ZVD8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL1598617 0.81 BACE1 (0.37) AURKACYP2D6CYP2C19MEN1KMT2A
SCHEMBL27950781 0.78 ALDH1A1 (0.41) MCHR1CYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL30738240 0.77 ALDH1A1 (0.52) CYP2D6MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL169378 0.77 ALDH1A1 (0.52) CYP2D6MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29993166 0.77 ALDH1A1 (0.52) CYP2D6MEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5263750 0.75 ALDH1A1 (0.50) CYP2D6MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27606024 0.75 ALDH1A1 (0.41) MCHR1CYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL27620545 0.71 F12 (0.58) CYP2D6SMN1; SMN2CYP1A2POLBCYP2A6
Biphenyl SCHEMBL29090174 0.70 LMNA (0.47) AURKACYP2D6MEN1KMT2ASMN1; SMN2
Pyrimidine SCHEMBL29083861 0.68 ALDH1A1 (0.43) CYP2D6MEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919507-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2011-04-05 — — US disclosed
US-7741329-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2010-06-22 — — US disclosed
US-20090093478-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.I.C. 2009-04-09 — — US disclosed
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 — — US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 — — US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 — — 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 (3 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-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB AURKA 267/4885MCHR1 691/4885CYP2D6 32/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB AURKA 267/4885MCHR1 691/4885CYP2D6 32/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB AURKA 267/4885MCHR1 691/4885CYP2D6 32/4885

“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.

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