SCHEMBL736320

SCHEMBL736320

Fc1cccc(CNC2CC2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.47
HTT P42858 3/20 0.45
GLA P06280 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
KDM1A O60341 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PABPC1 P11940 1/20 0.39
CXCR3 P49682 1/20 0.39

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
Formic Acid SCHEMBL5892410 0.91 OPRL1 (0.41) OPRL1HTTGLANPSR1CYP1A2
SCHEMBL737133 0.82 P2RX7 (0.42) OPRL1HTTGLANPSR1BCHE
SCHEMBL64531 0.82 GLA (0.56) HTTGLANPSR1CYP1A2CYP3A4
SCHEMBL696339 0.82 KDM1A (0.56) CYP1A2CYP2C9CYP2C19BCHEACHE
SCHEMBL736318 0.79 CHRM3 (0.41) HTTGLANPSR1BCHEACHE
SCHEMBL696022 0.79 GLA (0.45) HTTGLANPSR1CYP1A2CYP2D6
SCHEMBL736271 0.79 GLA (0.53) OPRL1HTTGLANPSR1CYP3A4
SCHEMBL30606515 0.79 GLA (0.53) OPRL1HTTGLANPSR1CYP3A4
SCHEMBL737438 0.79 P2RX7 (0.49)
SCHEMBL5437369 0.77 SIGMAR1 (0.44) BCHEACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786814-B1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2010-03-31 EP claimed
US-20090306123-A1 Bicyclononene derivaties ACTELION PHARMACEUTICALS LTD. (CH) 2009-12-10 US claimed
EP-1786814-A1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2007-05-23 EP claimed
WO-2006021402-A1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2006-03-02 WO claimed
US-8138340-B2 Bicyclononene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-20 US disclosed
CN-101010323-B Bicyclononene derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD 2010-06-16 CN 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
CN-101010323-A Bicyclononene derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2007-08-01 CN 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 OPRL1 2310/4885HTT 3838/4885GLA 1344/4885

“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.