SCHEMBL736963

SCHEMBL736963

Cc1c(Cl)cccc1CC1(N)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
AKT2 P31751 2/20 0.38
PNMT P11086 2/20 0.38
HDAC4 P56524 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
P2RX7 Q99572 5/20 0.35
IDO1 P14902 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPT P10636 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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) ALDH1A1MAOAMAOBAKT2PNMT
SCHEMBL3079729 0.81 MAOA (0.44) ALDH1A1MAOAMAOBTAAR1MAPT
SCHEMBL1824822 0.81 MAOA (0.52) MAOAMAOBAKT2PNMTTAAR1
Hydrochloric Acid SCHEMBL3913879 0.80 PNMT (0.53) ALDH1A1MAOAMAOBAKT2PNMT
SCHEMBL736272 0.79 MAOA (0.41) MAOAMAOBAKT2PNMTTAAR1
SCHEMBL3162087 0.76 ALDH1A1 (0.40) ALDH1A1HDAC4P2RX7MAPT
SCHEMBL1822591 0.75 MAOA (0.48) MAOAMAOBAKT2PNMTTAAR1
SCHEMBL1824872 0.73 MAOA (0.52) ALDH1A1MAOAMAOBTAAR1LMNA
Hydrochloric Acid SCHEMBL3921028 0.73 AKT2 (0.47) MAOAMAOBAKT2PNMTTAAR1
SCHEMBL1636099 0.72 PNMT (0.64) ALDH1A1PNMTTAAR1IDO1LMNA

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 5 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
EP-1786814-A1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2007-05-23 EP disclosed
WO-2006021402-A1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2006-03-02 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 (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 ALDH1A1 583/4885MAOA 483/4885MAOB 381/4885

“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.