SCHEMBL556652

SCHEMBL556652

CC1C[C@H](c2ccc(F)c(F)c2)[C@@H](c2nnc(-c3cccc(Cl)c3Cl)n2C2CC2)CN1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.38
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
AKT1 P31749 7/20 0.32
REN P00797 1/20 0.31
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 1/20 0.31
PDE2A O00408 2/20 0.30
PDE10A Q9Y233 2/20 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
SCHEMBL7874645 1.00 P2RX7 (0.38) P2RX7CNR2CNR1AKT1REN
SCHEMBL555729 0.85 REN (0.41) P2RX7AKT1RENCYP3A4KCNH2
Hydrochloric Acid SCHEMBL557460 0.84 REN (0.41) AKT1RENCYP3A4KCNH2
SCHEMBL556706 0.76 P2RX7 (0.36) P2RX7RENCYP3A4KCNH2
SCHEMBL556511 0.73 P2RX7 (0.33) P2RX7AKT1CYP3A4
SCHEMBL556886 0.72 P2RX7 (0.32) P2RX7AKT1
SCHEMBL7864439 0.66 P2RX7 (0.40) P2RX7CNR2KCNH2
Hydrochloric Acid SCHEMBL557461 0.63 REN (0.42) AKT1RENCYP3A4KCNH2
SCHEMBL555599 0.61 SLC6A2 (0.32) AKT1
SCHEMBL555935 0.60 HTR2A (0.49)

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 1307/4885CNR2 2092/4885CNR1 1824/4885

“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.