SCHEMBL555729

SCHEMBL555729

Fc1ccc([C@H]2CCNC[C@@H]2c2nnc(-c3cccc(Cl)c3Cl)n2C2CC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.41
CYP3A4 P08684 1/20 0.41
KCNH2 Q12809 1/20 0.41
AKT1 P31749 17/20 0.39
ROCK2 O75116 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
Hydrochloric Acid SCHEMBL557460 0.99 REN (0.41) RENCYP3A4KCNH2AKT1ROCK2
SCHEMBL556652 0.85 P2RX7 (0.38) RENCYP3A4KCNH2AKT1P2RX7
SCHEMBL7874645 0.85 P2RX7 (0.38) RENCYP3A4KCNH2AKT1P2RX7
SCHEMBL556706 0.80 P2RX7 (0.36) RENCYP3A4KCNH2P2RX7
Hydrochloric Acid SCHEMBL557461 0.76 REN (0.42) RENCYP3A4KCNH2AKT1ROCK2
SCHEMBL7864439 0.74 P2RX7 (0.40) KCNH2P2RX7
SCHEMBL556511 0.74 P2RX7 (0.33) CYP3A4AKT1P2RX7
SCHEMBL556510 0.73 NTRK1 (0.35) AKT1P2RX7
SCHEMBL19702118 0.61 KDM1A (0.51) AKT1ROCK2
SCHEMBL21404000 0.61 KDM1A (0.51) AKT1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
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 REN 1/4885CYP3A4 766/4885KCNH2 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.