SCHEMBL17110299

SCHEMBL17110299

COc1cccc(C)c1C(=O)CN(Cc1cc(F)cc(F)c1)C(=O)c1cnn([C@H]2CC[C@H](C(C)=O)CC2)c1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.34
LPAR5 Q9H1C0 4/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HCRTR2 O43614 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NTRK1 P04629 1/20 0.32
JAK1 P23458 3/20 0.31
GPR6 P46095 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
HCRTR1 O43613 1/20 0.31
TTR P02766 1/20 0.30

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
SCHEMBL17110302 0.90 ALDH1A1 (0.33) ALDH1A1MAPTHDAC1HDAC6NTRK1
SCHEMBL17110301 0.85 ALDH1A1 (0.33) LPAR1LPAR5ALDH1A1MAPTHDAC1
SCHEMBL17110314 0.84 ALDH1A1 (0.32) ALDH1A1MAPTNTRK1
SCHEMBL17110303 0.84 ALDH1A1 (0.34) ALDH1A1MAPTHDAC1HDAC6MEN1
SCHEMBL17110284 0.83 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL17110300 0.82 LPAR1 (0.31) LPAR1LPAR5ALDH1A1MAPTNTRK1
SCHEMBL17110313 0.82 ALDH1A1 (0.32) ALDH1A1MAPTKMT2ANTRK1
SCHEMBL17110308 0.81 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2ANTRK1
SCHEMBL17097660 0.81 LPAR1 (0.35) LPAR1LPAR5ALDH1A1MAPTHCRTR2
SCHEMBL17048992 0.81 LPAR1 (0.35) LPAR1LPAR5ALDH1A1MAPTHCRTR2

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-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA LPAR1 2474/4885LPAR5 1505/4885ALDH1A1 923/4885

“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.