SCHEMBL556576

SCHEMBL556576

COC[C@H](C)COCc1ccc([C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.37
REN P00797 2/20 0.36
KCNH2 Q12809 2/20 0.36
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
CYP3A4 P08684 1/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
GPR119 Q8TDV5 8/20 0.34
KDM1A O60341 1/20 0.34
ATM Q13315 1/20 0.34
YAP1 P46937 1/20 0.33

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
SCHEMBL3099550 0.89 ALK (0.41) TACR1RENKCNH2TSHRALOX15
SCHEMBL3099564 0.89 ALK (0.41) TACR1RENKCNH2TSHRALOX15
SCHEMBL555641 0.87 TACR1 (0.37) TACR1RENKCNH2TSHRALOX15
SCHEMBL556775 0.85 TACR1 (0.36) TACR1RENKCNH2TSHRALOX15
SCHEMBL17799062 0.79 OPRK1 (0.50) TACR1TSHRALOX15OPRD1OPRK1
SCHEMBL556532 0.79 REN (0.37) RENKCNH2CYP3A4OPRD1OPRK1
SCHEMBL2404325 0.78 ALK (0.43) TACR1TSHRALOX15OPRD1OPRK1
SCHEMBL557038 0.78 ALDH1A1 (0.45) RENKCNH2TSHRCYP3A4
SCHEMBL2404310 0.75 GPR119 (0.33) TACR1RENKCNH2CYP3A4GPR119
SCHEMBL2404312 0.75 GPR119 (0.33) TACR1RENKCNH2CYP3A4GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 TACR1 205/4885REN 1/4885KCNH2 1198/4885

“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.