SCHEMBL22957701

SCHEMBL22957701

CC(C)NCc1cc(OCC2CC2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 3/20 0.43
▸ PARP15 Q460N3 2/20 0.43
▸ ACACA Q13085 3/20 0.41
▸ ACACB O00763 2/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ RIPK1 Q13546 2/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ FFAR1 O14842 1/20 0.38

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
SCHEMBL22957703 0.85 NOS1 (0.47) PARP10PARP15FFAR4SCN9ARIPK1
SCHEMBL22390599 0.82 PARP10 (0.43) PARP10PARP15ACACAACACBFFAR4
SCHEMBL22389473 0.80 PARP10 (0.49) PARP10PARP15ACACAFFAR4SCN9A
SCHEMBL15979346 0.78 MTNR1B (0.46) —
SCHEMBL20208258 0.77 PARP10 (0.49) PARP10PARP15FFAR4
SCHEMBL30468346 0.77 PARP10 (0.49) PARP10PARP15FFAR4
SCHEMBL22389468 0.76 RIPK1 (0.52) PARP10PARP15FFAR4SCN9ARIPK1
SCHEMBL20374442 0.76 PARP10 (0.45) PARP10PARP15ACACAACACBFFAR4
SCHEMBL19242600 0.75 PARP10 (0.42) PARP10PARP15ACACAFFAR4SCN9A
SCHEMBL22957676 0.74 ADRB2 (0.46) FFAR4RIPK1PARP1

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 PARP10 488/4885PARP15 514/4885ACACA 4579/4885

“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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