SCHEMBL556510

SCHEMBL556510

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.35
P2RX7 Q99572 10/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
GRM5 P41594 2/20 0.33
AKT1 P31749 2/20 0.33
TACR3 P29371 1/20 0.32

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
SCHEMBL555598 0.89 NTRK1 (0.35) NTRK1
SCHEMBL535120 0.87 TACR3 (0.40) P2RX7LMNATACR3
SCHEMBL556089 0.83 REN (0.41) NTRK1AKT1
SCHEMBL556511 0.78 P2RX7 (0.33) P2RX7AKT1
Hydrochloric Acid SCHEMBL557460 0.72 REN (0.41) AKT1
SCHEMBL556872 0.71 NR1H2 (0.37) NTRK1
SCHEMBL556462 0.70 PDE4B (0.43) NTRK1
SCHEMBL557595 0.69 PDE4B (0.43) NTRK1
SCHEMBL556599 0.69 CYP1A2 (0.35) NTRK1TACR3
SCHEMBL555599 0.66 SLC6A2 (0.32) NTRK1AKT1

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 NTRK1 4075/4885P2RX7 1307/4885LMNA 1880/4885

“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.