SCHEMBL22957676

SCHEMBL22957676

CC(C)NCc1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.46
▸ PDE2A O00408 1/20 0.42
▸ TRPV3 Q8NET8 2/20 0.41
▸ GLS O94925 1/20 0.40
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ FFAR4 Q5NUL3 3/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ MPO P05164 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ GPR3 P46089 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ TRPV1 Q8NER1 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
SCHEMBL22957859 0.87 ADRB2 (0.44) ADRB2PDE2ATRPV3GLSFFAR4
SCHEMBL22957678 0.83 ADRB2 (0.49) ADRB2GLSSLC6A4
SCHEMBL15979346 0.83 MTNR1B (0.46) ADRB2
SCHEMBL5768808 0.82 TACR1 (0.50) SLC6A3TACR1
SCHEMBL21216304 0.80 ADRB2 (0.53) ADRB2PDE2AGLSFFAR4MPO
SCHEMBL22624065 0.80 ADRB2 (0.47) ADRB2GLSFFAR4MPOGPR3
SCHEMBL24018765 0.80 ADRB2 (0.46) ADRB2GLSFFAR4MPOGPR3
SCHEMBL17449711 0.80 PDE2A (0.44) ADRB2PDE2ASLC6A4SLC6A3FFAR4
SCHEMBL15599254 0.77 PDE2A (0.44) ADRB2PDE2AFFAR4MPOGPR3
SCHEMBL10978751 0.77 GPR3 (0.42) ADRB2PDE2AFFAR4MPODPP4

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 ADRB2 3001/4885PDE2A 1905/4885TRPV3 976/4885

“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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