SCHEMBL17669166

SCHEMBL17669166

C[C@H](OC(=O)O[C@@H](C)n1nnnc1-c1c(-c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2F)cnn1C)n1nnnc1-c1c(-c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2F)cnn1C

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 20/20 0.57
CHRM1 P11229 1/20 0.53
PDE4D Q08499 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL17669173 1.00 PCSK9 (0.57) PCSK9CHRM1PDE4DKCNH2
Pf-06815345 SCHEMBL17679145 0.96 PCSK9 (0.62) PCSK9CHRM1PDE4DKCNH2
Pf-06815345 SCHEMBL30864636 0.96 PCSK9 (0.62) PCSK9CHRM1PDE4DKCNH2
Pf-06815345 SCHEMBL17679156 0.96 PCSK9 (0.62) PCSK9CHRM1PDE4DKCNH2
SCHEMBL17669168 0.96 PCSK9 (0.56) PCSK9CHRM1PDE4DKCNH2
SCHEMBL17669170 0.96 PCSK9 (0.56) PCSK9CHRM1PDE4DKCNH2
SCHEMBL17669176 0.96 PCSK9 (0.56) PCSK9CHRM1PDE4DKCNH2
Hydrochloric Acid SCHEMBL17669180 0.95 PCSK9 (0.56) PCSK9CHRM1PDE4DKCNH2
Hydrochloric Acid SCHEMBL17669179 0.95 PCSK9 (0.56) PCSK9CHRM1PDE4DKCNH2
SCHEMBL17669187 0.94 PCSK9 (0.65) PCSK9CHRM1PDE4DKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160102074-A1 SUBSTITUTED AMIDE COMPOUNDS PFIZER INC. (US) 2016-04-14 US claimed
US-20160102074-A1 SUBSTITUTED AMIDE COMPOUNDS PFIZER INC. (US) 2016-04-14 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-20160102074-A1 SUBSTITUTED AMIDE COMPOUNDS CETP, APOB, LCAT PCSK9 35/4885CHRM1 3830/4885PDE4D 2196/4885

“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.