SCHEMBL4159491

SCHEMBL4159491

Cc1cccc([N]C(=O)C2CCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NOTUM Q6P988 1/20 0.38
GRM5 P41594 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR1 P34998 1/20 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
SCHEMBL4158555 0.97 NPSR1 (0.51) GAANPSR1HTR3EHTR3BHTR3A
SCHEMBL4150707 0.93 HTR3E (0.49) GAANPSR1HTR3EHTR3BHTR3A
SCHEMBL4163322 0.80 L3MBTL1 (0.41) GAANPC1RAB9AKMT2A
SCHEMBL4154113 0.79 HPGD (0.43) GAAKMT2A
SCHEMBL4159720 0.76 NPC1 (0.41) GAANPSR1NPC1RAB9AKMT2A
SCHEMBL4173665 0.75 HPGD (0.46) GAANPC1RAB9A
SCHEMBL3184732 0.74 HPGD (0.49) GAANPC1RAB9A
SCHEMBL1515207 0.72 HTR3E (0.66) GAANPSR1HTR3EHTR3BHTR3A
SCHEMBL4159489 0.71 AKR1C3 (0.41) GAANPC1RAB9ANOTUMKMT2A
SCHEMBL4152944 0.70 P2RX7 (0.42) GAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192194-A1 Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them ALVARO GIUSEPPE 2009-07-30 US disclosed
US-20070073061-A1 Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 2007-03-29 US disclosed
EP-1622871-A1 CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2006-02-08 EP disclosed
WO-2004099143-A1 CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2004-11-18 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 (2 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-20070073061-A1 Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them SLC6A4, OPRL1, HCRTR1 GAA 4764/4885NPSR1 23/4885HTR3E 106/4885
US-20090192194-A1 Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them SLC6A4, OPRL1, HCRTR1 GAA 4764/4885NPSR1 23/4885HTR3E 106/4885

“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.