SCHEMBL2201434

SCHEMBL2201434

CO[C@H]1COCC[C@H]1NC1CCN(C(=O)c2c(C)nn(-c3cccc(OC(F)(F)F)c3)c2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.48
KMT2A Q03164 1/20 0.46
CCR5 P51681 7/20 0.45
KCNH2 Q12809 4/20 0.45

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
SCHEMBL2201440 1.00 CCR2 (0.48) CCR2KMT2ACCR5KCNH2
SCHEMBL2201437 1.00 CCR2 (0.48) CCR2KMT2ACCR5KCNH2
SCHEMBL12429649 1.00 CCR2 (0.48) CCR2KMT2ACCR5KCNH2
SCHEMBL2201648 0.88 KMT2A (0.49) KMT2A
SCHEMBL2203346 0.84 KMT2A (0.45) KMT2A
SCHEMBL2203058 0.84 KMT2A (0.52) KMT2A
SCHEMBL2202045 0.80 KMT2A (0.47) KMT2A
SCHEMBL2199925 0.79 KMT2A (0.50) KMT2A
SCHEMBL14848998 0.77 CCR2 (0.72) CCR2CCR5KCNH2
SCHEMBL2197635 0.77 KMT2A (0.53) KMT2A

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-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 CCR2 5/4885KMT2A 4057/4885CCR5 6/4885

“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.