SCHEMBL22957853

SCHEMBL22957853

CC(C)(C)NCc1cc(F)ccc1OCC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ RIPK1 Q13546 3/20 0.45
▸ HTR2A P28223 7/20 0.44
▸ HTR2C P28335 6/20 0.44
▸ HTR2B P41595 3/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ RBP4 P02753 2/20 0.41
▸ SLC6A4 P31645 4/20 0.40
▸ HTT P42858 1/20 0.40
▸ P2RX4 Q99571 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL22957811 0.86 HTR2A (0.55) HTR2AHTR2CHTR2BSLC6A4KCNH2
SCHEMBL22957894 0.85 RIPK1 (0.48) NPY1RNPY2RRIPK1HTR2AHTR2C
SCHEMBL22391953 0.84 RIPK1 (0.61) RIPK1HTR2AHTR2CHTR2BRBP4
SCHEMBL22957672 0.83 RIPK1 (0.60) NPY1RNPY2RRIPK1HTR2CMEN1
SCHEMBL22957846 0.83 NPY1R (0.70) NPY1RNPY2RRIPK1MEN1KMT2A
SCHEMBL24224753 0.81 HTR2A (0.54) RIPK1HTR2AHTR2CHTR2BPKM
SCHEMBL22957816 0.81 RIPK1 (0.60) NPY1RNPY2RRIPK1HTR2CMEN1
SCHEMBL29786347 0.79 HTR2C (0.52) RIPK1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL20472535 0.79 HTR2C (0.52) RIPK1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL22957702 0.79 RIPK1 (0.40) NPY1RNPY2RRIPK1HTR2AHTR2C

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 NPY1R 2919/4885NPY2R 3582/4885RIPK1 1/4885

“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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