SCHEMBL738587

SCHEMBL738587

Cc1c(Cl)cccc1C(=O)NC1CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.71
TAS1R3 Q7RTX0 3/20 0.66
TAS1R1 Q7RTX1 3/20 0.66
TAS1R2 Q8TE23 3/20 0.66
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 3/20 0.51
HPGD P15428 3/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 2/20 0.48
ACKR3 P25106 1/20 0.47

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
SCHEMBL5620549 0.85 TAS1R3 (0.60) P2RX7TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL534385 0.83 P2RX7 (1.00) P2RX7TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL1987660 0.83 TAS1R3 (0.64) P2RX7TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL12181561 0.83 P2RX7 (0.75) P2RX7ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28583422 0.82 P2RX7 (0.97) P2RX7TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL23573396 0.81 P2RX7 (0.67) P2RX7ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23573395 0.81 P2RX7 (0.67) P2RX7ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3172457 0.81 TAS1R3 (0.59) P2RX7TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4705927 0.81 P2RX7 (0.71) P2RX7TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL23021683 0.81 P2RX7 (0.62) P2RX7TAS1R3TAS1R1TAS1R2ALDH1A1

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 P2RX7 1680/4885TAS1R3 4507/4885TAS1R1 3960/4885

“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.