SCHEMBL23915569

SCHEMBL23915569

Nc1cc(OCC2CC2)c(C(F)(F)F)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HPGD P15428 1/20 0.40
HTR2A P28223 7/20 0.38
HTR2C P28335 4/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
G6PD P11413 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5565701 0.82 ALDH1A1 (0.38) TRPA1TRPM8TRPV1HPGDHTR2A
SCHEMBL23966851 0.82 TRPA1 (0.37) TRPA1TRPM8TRPV1HPGDHTR2A
SCHEMBL11565480 0.81 HPGD (0.46) TRPA1TRPM8TRPV1HPGDHTR2A
SCHEMBL27615983 0.80 HTR2A (0.41) HPGDHTR2AHTR2CCNR2S1PR2
SCHEMBL23914588 0.80 TRPA1 (0.44) TRPA1TRPM8TRPV1HPGDHTR2A
SCHEMBL23966507 0.78 KDM4E (0.39) HTR2AHTR2CKDM4EMEN1USP2
SCHEMBL2650371 0.78 PDK2 (0.45)
SCHEMBL14145336 0.78 SCN8A (0.42) TRPA1TRPM8TRPV1HTR2AHTR2C
SCHEMBL23914594 0.77 HTR2C (0.42) HTR2AHTR2CHTR2BRIPK1
SCHEMBL5557192 0.75 AAK1 (0.43) HTR2AHTR2CCNR2

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 TRPA1 656/4885TRPM8 1596/4885TRPV1 316/4885

“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.