SCHEMBL10296151

SCHEMBL10296151

C#CC(N)CCCc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
FDFT1 P37268 1/20 0.39
HRH1 P35367 1/20 0.37
PYCR1 P32322 1/20 0.36
MAOB P27338 1/20 0.35
AGXT P21549 2/20 0.34
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
IDO1 P14902 1/20 0.33
FFAR1 O14842 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL5324322 0.89 CYP1A2 (0.47) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL1274308 0.81 CALM1 (0.49) CYP1A2TAAR1IGF1RALOX15PYCR1
Hydrochloric Acid SCHEMBL1274002 0.80 CALM1 (0.47) CYP1A2TAAR1IGF1RALOX15MAOB
SCHEMBL10296057 0.79 IGF1R (0.43) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL24098427 0.77 TAAR1 (0.40) CYP1A2CYP2A6TAAR1PYCR1AGXT
SCHEMBL14528095 0.73 S1PR1 (0.45) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL14676054 0.72 CYP1A2 (0.48) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL6546878 0.71 CYP1A2 (0.62) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL6546754 0.71 IGF1R (0.64) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL15142215 0.70 CYP1A2 (0.42) CYP1A2CYP2A6TAAR1IGF1RALOX15

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-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

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-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 CYP1A2 2016/4885CYP2A6 3330/4885TAAR1 78/4885

“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.