SCHEMBL696317

SCHEMBL696317

Fc1ccc(CNC2CC2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.50
ACHE P22303 3/20 0.50
BACE1 P56817 3/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.50
P2RX7 Q99572 13/20 0.46
CYP2D6 P10635 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 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
SCHEMBL31136489 0.93 MAPT (0.54) BCHEACHEBACE1HPGDMAPT
SCHEMBL30523671 0.87 OPRL1 (0.54) BCHEACHEBACE1MAPTP2RX7
SCHEMBL22361700 0.87 OPRL1 (0.54) BCHEACHEBACE1MAPTP2RX7
SCHEMBL951982 0.84 SLC6A2 (0.49) BCHEACHEBACE1MAPTP2RX7
SCHEMBL951983 0.84 SLC6A2 (0.49) BCHEACHEBACE1MAPTP2RX7
SCHEMBL30802465 0.82 BCHE (0.63) BCHEACHEBACE1P2RX7
SCHEMBL694951 0.82 BCHE (0.65) BCHEACHEBACE1HPGDMAPT
SCHEMBL23124460 0.79 GRM2 (0.48) BCHEACHEBACE1HPGDMAPT
SCHEMBL23105979 0.79 BCHE (0.47) BCHEACHEBACE1HPGDMAPT
SCHEMBL4482088 0.77 OPRL1 (0.53) BCHEACHEBACE1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085935-A2 COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-06-28 WO disclosed
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 BCHE 1870/4885ACHE 1313/4885BACE1 147/4885

“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.