SCHEMBL556953

SCHEMBL556953

C[C@H]1C[C@H](c2ccc(F)c(F)c2)[C@@H](C=O)CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ADAMTS5 Q9UNA0 3/20 0.34
GPR88 Q9GZN0 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL556872 0.84 NR1H2 (0.37) HTR2AHTR2CHTR2BHCRTR2
SCHEMBL556475 0.81 HTR2A (0.44) KDM1AHTR2AHTR2CHTR2BADAMTS5
SCHEMBL27896146 0.75 HTR2A (0.49) KDM1AHTR2AHTR2CHTR2B
SCHEMBL556599 0.73 CYP1A2 (0.35) HTR2AHTR2CHTR2B
SCHEMBL2479416 0.72 KDM1A (0.40) KDM1AHTR2AHTR2CHTR2B
SCHEMBL556873 0.71 ADAMTS5 (0.33) KDM1AHTR2AHTR2CHTR2BADAMTS5
SCHEMBL556462 0.70 PDE4B (0.43) HTR2AHTR2CHTR2BGPR88
SCHEMBL6902319 0.69 CCR5 (0.42) KDM1A
SCHEMBL1713447 0.69 CCR5 (0.42) KDM1A
SCHEMBL3646250 0.69 CCR5 (0.42) KDM1A

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 KDM1A 2899/4885HTR2A 3006/4885HTR2C 2629/4885

“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.