SCHEMBL556475

SCHEMBL556475

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
KDM1A O60341 8/20 0.39
ADAMTS5 Q9UNA0 3/20 0.36
GPR88 Q9GZN0 1/20 0.35

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
SCHEMBL557595 0.84 PDE4B (0.43) HTR2AHTR2CHTR2B
SCHEMBL556953 0.81 KDM1A (0.37) HTR2AHTR2CHTR2BKDM1AADAMTS5
SCHEMBL18586535 0.79 HTR2C (0.45) HTR2CKDM1A
SCHEMBL18586534 0.79 HTR2C (0.45) HTR2CKDM1A
SCHEMBL18587086 0.79 HTR2C (0.45) HTR2CKDM1A
SCHEMBL28511907 0.75 HTR2A (0.67) HTR2AHTR2CHTR2BKDM1A
SCHEMBL28511905 0.75 HTR2A (0.67) HTR2AHTR2CHTR2BKDM1A
SCHEMBL14920363 0.75 ADAMTS5 (0.43) HTR2AHTR2CHTR2BKDM1AADAMTS5
SCHEMBL2479416 0.72 KDM1A (0.40) HTR2AHTR2CHTR2BKDM1A
SCHEMBL557596 0.71 HTR2A (0.37) HTR2AHTR2CHTR2BKDM1AADAMTS5

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 HTR2A 3006/4885HTR2C 2629/4885HTR2B 3136/4885

“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.