SCHEMBL738909

SCHEMBL738909

O=C(NC1CC1)c1cccc(F)c1Cl

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.71
HPGD P15428 4/20 0.58
GRM5 P41594 1/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
TAS1R2 Q8TE23 2/20 0.45

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
SCHEMBL3170903 0.83 P2RX7 (0.57) P2RX7HPGDGRM5NPC1RAB9A
SCHEMBL534385 0.83 P2RX7 (1.00) P2RX7HPGDNPC1RAB9AKDM4E
SCHEMBL363351 0.83 NPC1 (0.60) P2RX7HPGDGRM5NPC1RAB9A
SCHEMBL28583422 0.82 P2RX7 (0.97) P2RX7HPGDNPC1RAB9AKDM4E
SCHEMBL3172457 0.81 TAS1R3 (0.59) P2RX7HPGDNPC1RAB9AL3MBTL1
SCHEMBL695642 0.81 P2RX7 (0.71) P2RX7HPGDNPC1RAB9AL3MBTL1
SCHEMBL29615916 0.81 P2RX7 (0.71) P2RX7HPGDNPC1RAB9AL3MBTL1
SCHEMBL1741628 0.81 P2RX7 (0.71) P2RX7HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL30786170 0.81 P2RX7 (0.54) P2RX7HPGDGRM5NPC1RAB9A
SCHEMBL23462320 0.77 NPC1 (0.55) P2RX7GRM5NPC1RAB9ASMN1; SMN2

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 P2RX7 1680/4885HPGD 176/4885GRM5 1670/4885

“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.