SCHEMBL10296103

SCHEMBL10296103

CCC(=O)N1CCc2nc[nH]c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
HTR2C P28335 1/20 0.44
CREBBP Q92793 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
BRD4 O60885 1/20 0.44
ENPP2 Q13822 1/20 0.44
GRM5 P41594 1/20 0.42
HRH4 Q9H3N8 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
EP300 Q09472 1/20 0.38
HPGDS O60760 1/20 0.38
AKT1 P31749 2/20 0.38
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL15492450 0.88 CREBBP (0.47) NAMPTHTR2CCREBBPNPC1RAB9A
SCHEMBL12934637 0.85 NAMPT (0.45) NAMPTHTR2CENPP2HRH4HRH3
SCHEMBL24229770 0.83 NAMPT (0.47) NAMPTHTR2CCREBBPBRD4ENPP2
SCHEMBL13505458 0.81 NAMPT (0.48) NAMPTHTR2CENPP2HRH4HRH3
SCHEMBL20214639 0.80 ENPP2 (0.52) NAMPTHTR2CNPC1RAB9AENPP2
SCHEMBL3705234 0.76 MAPT (0.48) NAMPTHTR2CGRM5HRH4HRH3
SCHEMBL15492439 0.75 NPC1 (0.48) NAMPTCREBBPNPC1RAB9ABRD4
SCHEMBL20214421 0.74 NAMPT (0.56) NAMPTHTR2CENPP2GRM5KDM4E
SCHEMBL4154205 0.73 ENPP2 (0.36) NAMPTHTR2CCREBBPNPC1RAB9A
SCHEMBL13575851 0.73 NPC1 (0.44) CREBBPNPC1RAB9ABRD4GRM5

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-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES SALTER-CID LUISA M (US) 2012-07-05 US disclosed
US-20070078157-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-04-05 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 (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-20070078157-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO)enzyme activity and VAP-1 mediated adhesion useful for treatment of diseases VCAM1, AOC2, AOC1 NAMPT 1821/4885HTR2C 4045/4885CREBBP 505/4885
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES VCAM1, AOC2, AOC1 NAMPT 1821/4885HTR2C 4045/4885CREBBP 505/4885

“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.