SCHEMBL15879765

SCHEMBL15879765

O=C1C(c2cc(F)cc(F)c2F)CCN1Cc1cn[nH]c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.39
DPP4 P27487 2/20 0.33
RIPK1 Q13546 1/20 0.32
GAA P10253 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
SCHEMBL1665578 0.78 DPP4 (0.36) DPP4
SCHEMBL29868601 0.78 DPP4 (0.36) DPP4
SCHEMBL15879781 0.74 P2RX7 (0.35) RIPK1
SCHEMBL5907241 0.60 HRH3 (0.48)
SCHEMBL20499550 0.59 NAMPT (0.37)
SCHEMBL31010095 0.58 HRH3 (0.52) GAA
SCHEMBL4574170 0.58 ATM (0.37) RIPK1
SCHEMBL2334972 0.58 HPGD (0.39) DPP4GAA
SCHEMBL21451943 0.57 TLR4 (0.41) RIPK1
SCHEMBL18097762 0.57 SCN9A (0.41)

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-20140206667-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA THE JOHNS HOPKINS UNIVERSITY 2014-07-24 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-20140206667-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA RAB2A, SYNGR2, GRIN2A ROCK2 271/4885DPP4 3101/4885RIPK1 3450/4885

“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.