SCHEMBL695642

SCHEMBL695642

Cc1cccc(C(=O)NC2CC2)c1Cl

nearest known ligand 0.71

Predicted protein targets (top 17)

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
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
POLB P06746 3/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GLA P06280 1/20 0.50
HTR7 P34969 1/20 0.49
DRD4 P21917 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL1987660 0.83 TAS1R3 (0.64) P2RX7TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL534385 0.83 P2RX7 (1.00) P2RX7TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL457993 0.83 NPC1 (0.84) P2RX7NPC1RAB9APOLBMEN1
SCHEMBL28583422 0.82 P2RX7 (0.97) P2RX7TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL738909 0.81 P2RX7 (0.71) P2RX7TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL29615916 0.81 P2RX7 (0.71) P2RX7TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL19155146 0.81 NPC1 (0.60) P2RX7TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL738587 0.81 P2RX7 (0.71) P2RX7TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL24857978 0.80 P2RX7 (0.66) P2RX7TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL700898 0.80 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2KMT2AALDH1A1

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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 P2RX7 3349/4885TAS1R3 3639/4885TAS1R1 2395/4885

“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.