SCHEMBL22957792

SCHEMBL22957792

CCCCCCC(C)NCc1ccccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.40
▸ EPHX2 P34913 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ BCHE P06276 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ KCNN3 Q9UGI6 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ ATM Q13315 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PDE9A O76083 1/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ MLYCD O95822 1/20 0.36
▸ TACR1 P25103 1/20 0.36

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
SCHEMBL15979344 0.79 TACR1 (0.45) PPARGEPHX2BCHEHDAC3HDAC1
SCHEMBL25590514 0.79 CHRM2 (0.57) TSHRBCHEPOLB
SCHEMBL19274260 0.76 THRA (0.51) PPARGSLC6A2SLC6A4ALOX5DRD2
SCHEMBL22957866 0.75 HTR2A (0.37) TSHRSLC6A4
SCHEMBL11118159 0.75 MAPK1 (0.56) TSHRSLC6A4POLB
SCHEMBL11118846 0.75 MAPK1 (0.56) TSHRSLC6A4POLB
SCHEMBL11119052 0.75 MAPK1 (0.56) TSHRSLC6A4POLB
SCHEMBL11122522 0.75 MAPK1 (0.56) TSHRSLC6A4POLB
SCHEMBL22957820 0.75 CARM1 (0.44) PPARGEPHX2KCNN3
SCHEMBL19506246 0.74 THRA (0.49) PPARGSLC6A2SLC6A4ALOX5DRD2

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-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 — — 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-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 PPARG 4227/4885EPHX2 3363/4885TSHR 3018/4885

“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.

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