SCHEMBL22957683

SCHEMBL22957683

CNCc1cc(F)ccc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 11/20 0.54
▸ HTR2A P28223 10/20 0.54
▸ KCNH2 Q12809 6/20 0.51
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ CARM1 Q86X55 1/20 0.45
▸ PRMT1 Q99873 1/20 0.45
▸ SLC6A2 P23975 2/20 0.45
▸ SLC6A3 Q01959 2/20 0.45
▸ NTRK1 P04629 2/20 0.45
▸ RECQL P46063 1/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.41

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
SCHEMBL22957684 0.86 LMNA (0.56) SLC6A4HTR2AKCNH2NPY1RNPY2R
SCHEMBL22957846 0.85 NPY1R (0.70) KCNH2NPY1RNPY2RNTRK1RECQL
SCHEMBL24783619 0.84 SLC6A4 (0.52) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL24180131 0.83 PDE4A (0.44) NPY1RNPY2RCARM1PRMT1PDE4A
SCHEMBL22957689 0.81 CARM1 (0.59) SLC6A4HTR2AKCNH2NPY1RNPY2R
SCHEMBL22957878 0.81 NPY1R (0.56) SLC6A4HTR2AKCNH2NPY1RNPY2R
Hydrochloric Acid SCHEMBL7567150 0.81 NPY1R (0.52) NPY1RNPY2RCARM1PRMT1RECQL
SCHEMBL20472386 0.80 CSNK2A1 (0.51) SLC6A4NPY1RNPY2RCARM1PRMT1
SCHEMBL22957842 0.80 CARM1 (0.61) SLC6A4HTR2ANPY1RNPY2RCARM1
SCHEMBL29786553 0.80 CSNK2A1 (0.51) SLC6A4NPY1RNPY2RCARM1PRMT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3849968-B1 1H-INDAZOLE CARBOXAMIDES AS RECEPTOR-INTERACTING PROTEIN KINASE 1 INHIBITORS (RIPK1) BRISTOL MYERS SQUIBB CO (US) 2022-12-21 — — EP disclosed
EP-3943488-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2022-01-26 — — EP disclosed
EP-3580220-B1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-17 — — EP disclosed
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 SLC6A4 3049/4885HTR2A 2314/4885KCNH2 1920/4885

“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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