SCHEMBL555641

SCHEMBL555641

COC[C@H](C)COCc1ccc([C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2C=O)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
GPR119 Q8TDV5 6/20 0.35
CYP3A4 P08684 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
YAP1 P46937 1/20 0.34
ATM Q13315 1/20 0.33
ALK Q9UM73 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
SCHEMBL556775 0.92 TACR1 (0.36) TACR1RENKCNH2TSHRALOX15
SCHEMBL3099550 0.89 ALK (0.41) TACR1RENKCNH2TSHRALOX15
SCHEMBL3099564 0.89 ALK (0.41) TACR1RENKCNH2TSHRALOX15
SCHEMBL556576 0.87 TACR1 (0.37) TACR1RENKCNH2TSHRALOX15
SCHEMBL535215 0.84 TACR1 (0.39) TACR1TSHRALOX15GPR119DDB1
SCHEMBL2404325 0.77 ALK (0.43) TACR1TSHRALOX15GPR119DDB1
SCHEMBL556532 0.76 REN (0.37) RENKCNH2CYP3A4
SCHEMBL534508 0.75 MEN1 (0.37)
SCHEMBL2404310 0.74 GPR119 (0.33) TACR1RENKCNH2GPR119CYP3A4
SCHEMBL2404312 0.74 GPR119 (0.33) TACR1RENKCNH2GPR119CYP3A4

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.