SCHEMBL556511

SCHEMBL556511

CC(C)(C)[C@]1(C)C[C@H](c2ccc(F)c(F)c2)[C@@H](c2nnc(-c3cccc(Cl)c3Cl)n2C2CC2)CN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.33
AKT1 P31749 11/20 0.32
CYP3A4 P08684 1/20 0.31
MDM2 Q00987 1/20 0.31
SGK1 O00141 1/20 0.30
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
RPS6KB1 P23443 1/20 0.30
PRKCH P24723 1/20 0.30
AKT2 P31751 1/20 0.30
PRKCI P41743 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCZ Q05513 1/20 0.30
PRKCD Q05655 1/20 0.30
ROCK1 Q13464 1/20 0.30
PRKD1 Q15139 1/20 0.30
RPS6KA1 Q15418 1/20 0.30

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
SCHEMBL555599 0.89 SLC6A2 (0.32) AKT1
SCHEMBL556090 0.82 REN (0.42) AKT1CYP3A4
SCHEMBL556706 0.82 P2RX7 (0.36) P2RX7CYP3A4
SCHEMBL556510 0.78 NTRK1 (0.35) P2RX7AKT1
SCHEMBL555729 0.74 REN (0.41) P2RX7AKT1CYP3A4
SCHEMBL7874645 0.73 P2RX7 (0.38) P2RX7AKT1CYP3A4
SCHEMBL556652 0.73 P2RX7 (0.38) P2RX7AKT1CYP3A4
Hydrochloric Acid SCHEMBL557460 0.73 REN (0.41) AKT1CYP3A4
SCHEMBL556873 0.69 ADAMTS5 (0.33)
SCHEMBL557596 0.69 HTR2A (0.37)

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 P2RX7 1307/4885AKT1 2714/4885CYP3A4 766/4885

“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.