SCHEMBL26326772

SCHEMBL26326772

CC(C)NCCC(O)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.49
HIF1A Q16665 2/20 0.49
ADRB2 P07550 5/20 0.45
ADRB1 P08588 5/20 0.45
KDM4E B2RXH2 1/20 0.41
ADRB3 P13945 4/20 0.41
CYP3A4 P08684 5/20 0.40
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
KCNH2 Q12809 4/20 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
SCHEMBL20213832 0.83 TAAR1 (0.46) CYP2D6ADRB1ADRB3CYP3A4CES2
SCHEMBL10485699 0.83 ADRB2 (0.65) CYP2D6HIF1AADRB2ADRB1ADRB3
SCHEMBL26326775 0.82 CYP2D6 (0.43) CYP2D6HIF1AADRB2ADRB1KDM4E
SCHEMBL26326776 0.81 CYP2D6 (0.47) CYP2D6HIF1AADRB2ADRB1KDM4E
SCHEMBL26326760 0.78 ADRB2 (0.43) CYP2D6HIF1AADRB2ADRB1KDM4E
SCHEMBL16371920 0.78 CES2 (0.43) ADRB2CYP3A4CES2CES1
SCHEMBL1913425 0.77 CES2 (0.42) CYP2D6CYP3A4CES2CES1MEN1
SCHEMBL4607597 0.75 CNR2 (0.44) HIF1ACYP3A4CES2CES1
SCHEMBL6630352 0.75 ALDH1A1 (0.42) CYP2D6KDM4ECYP3A4CES2CES1
SCHEMBL12312536 0.75 CYP2D6 (0.54) CYP2D6HIF1AADRB2ADRB1KDM4E

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-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-09-26 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-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors RIPK1, RIPK3, RIPK4 CYP2D6 2658/4885HIF1A 3603/4885ADRB2 3794/4885

“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.