SCHEMBL736272

SCHEMBL736272

NC1(Cc2cccc(Cl)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
AKT2 P31751 3/20 0.38
PNMT P11086 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37
MPO P05164 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
AKR1B1 P15121 1/20 0.35
IDO1 P14902 2/20 0.34
P2RX7 Q99572 1/20 0.33
CFD P00746 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
SCHEMBL2470762 0.81 PNMT (0.55) MAOAMAOBAKT2PNMTTAAR1
SCHEMBL1824822 0.81 MAOA (0.52) MAOAMAOBAKT2PNMTTAAR1
Hydrochloric Acid SCHEMBL3913879 0.80 PNMT (0.53) MAOAMAOBAKT2PNMTTAAR1
SCHEMBL736963 0.79 ALDH1A1 (0.42) MAOAMAOBAKT2PNMTTAAR1
SCHEMBL736321 0.79 MAOA (0.41) MAOAMAOBAKT2PNMTTAAR1
SCHEMBL31118093 0.77 PNMT (0.38) PNMTFFAR4MPOTAAR1AKR1B1
SCHEMBL3163919 0.76 FFAR4 (0.41) FFAR4P2RX7
SCHEMBL2468659 0.75 TAAR1 (0.55) MAOAMAOBAKT2TAAR1
SCHEMBL1822591 0.75 MAOA (0.48) MAOAMAOBAKT2PNMTTAAR1
SCHEMBL559225 0.74 PNMT (0.67) PNMTMPOTAAR1AKR1B1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138340-B2 Bicyclononene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-20 US disclosed
EP-1786814-B1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2010-03-31 EP disclosed
US-20090306123-A1 Bicyclononene derivaties ACTELION PHARMACEUTICALS LTD. (CH) 2009-12-10 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-20090306123-A1 Bicyclononene derivaties REN, ACE, CYP51A1 MAOA 483/4885MAOB 381/4885AKT2 1603/4885

“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.