SCHEMBL13749522

SCHEMBL13749522

C/C=C(\CN)CCc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AOC2 O75106 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ TACR1 P25103 4/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ IDO1 P14902 2/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GPR52 Q9Y2T5 4/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32

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
SCHEMBL1295087 0.88 AOC2 (0.56) AOC2MAOAMAOBAOC3TAAR1
SCHEMBL1295090 0.88 AOC2 (0.56) AOC2MAOAMAOBAOC3TAAR1
SCHEMBL1295096 0.88 AOC2 (0.56) AOC2MAOAMAOBAOC3TAAR1
SCHEMBL1294838 0.87 AOC2 (0.41) AOC2MAOAMAOBAOC3TAAR1
SCHEMBL1294698 0.87 AOC2 (0.41) AOC2MAOAMAOBAOC3TAAR1
SCHEMBL1294696 0.87 AOC2 (0.41) AOC2MAOAMAOBAOC3TAAR1
Hydrochloric Acid SCHEMBL1295894 0.86 AOC2 (0.40) AOC2MAOAMAOBAOC3TAAR1
Hydrochloric Acid SCHEMBL1295891 0.86 AOC2 (0.40) AOC2MAOAMAOBAOC3TAAR1
Trifluoroacetic Acid SCHEMBL1296074 0.81 AOC2 (0.49) AOC2MAOAMAOBAOC3RXRA
Trifluoroacetic Acid SCHEMBL1295816 0.81 AOC2 (0.49) AOC2MAOAMAOBAOC3RXRA

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-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 — — 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-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 AOC2 3/4885MAOA 41/4885MAOB 56/4885

“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.

Send feedback