SCHEMBL3344191

SCHEMBL3344191

COC(=O)NCCOC(c1cccc(C)c1)c1cccc(C(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.42
GPR17 Q13304 1/20 0.40
REN P00797 1/20 0.40
PARP1 P09874 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
ALOX12 P18054 1/20 0.39
POLB P06746 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC7A5 Q01650 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL3643578 0.92 CASR (0.42) CASRPARP1LOXL2MEN1KMT2A
SCHEMBL3641253 0.91 ALDH1A1 (0.41) CASRRENGPR139MEN1KMT2A
SCHEMBL3343494 0.91 CASR (0.49) CASRPARP1LOXL2CYP4F2CYP4A11
SCHEMBL3343503 0.90 ALDH1A1 (0.40) CASRRENGPR139MEN1KMT2A
Lithium Ion SCHEMBL3343498 0.89 REN (0.39) RENGPR139MEN1KMT2APOLB
SCHEMBL1568426 0.87 ADRB2 (0.47) CASRRENGPR139MEN1KMT2A
SCHEMBL3343098 0.84 LOXL2 (0.48) CASRGPR17PARP1LOXL2GPR139
SCHEMBL8076505 0.82 HTR1A (0.46) CASRMAPT
SCHEMBL3341708 0.82 ADRB2 (0.41) CASRRENPARP1GPR139MEN1
SCHEMBL10068808 0.82 HTT (0.43) RENGPR139MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
EP-2170815-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
WO-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
WO-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP CASR 1270/4885GPR17 2943/4885REN 2/4885

“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.