SCHEMBL1765093

SCHEMBL1765093

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)OCc3c(F)cccc3F)cs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
GAA P10253 3/20 0.42
PPARG P37231 1/20 0.40
TPH1 P17752 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 3/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
SPR P35270 1/20 0.34

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
SCHEMBL1765165 0.95 CCR1 (0.44) CCR1GAAPPARGTPH1ALDH1A1
SCHEMBL20727027 0.89 POLB (0.44) CCR1GAATPH1KDM4EPOLB
SCHEMBL1120082 0.88 GAA (0.47) CCR1GAAPPARGTPH1KDM4E
SCHEMBL12636272 0.87 CCR1 (0.46) CCR1GAAPPARGTPH1KDM4E
SCHEMBL1120075 0.87 CCR1 (0.41) CCR1GAAPPARGTPH1KDM4E
SCHEMBL2598613 0.87 GAA (0.42) CCR1GAAPPARGKDM4EPOLB
SCHEMBL15230430 0.86 CCR1 (0.40) CCR1GAAPPARGTPH1ALDH1A1
SCHEMBL2598784 0.84 GAA (0.40) CCR1GAAPPARGKDM4EPOLB
SCHEMBL27968437 0.84 GAA (0.40) CCR1GAAPPARGKDM4EPOLB
SCHEMBL14659762 0.84 GAA (0.40) CCR1GAAPPARGKDM4EPOLB

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-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 US claimed
US-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 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-20110124501-A1 Active compound combinations CYP51A1, CA4, BROX CCR1 1486/4885GAA 90/4885PPARG 402/4885

“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.