SCHEMBL22957833

SCHEMBL22957833

CC(CCNC(C)(C)C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.58
▸ CHRM2 P08172 2/20 0.46
▸ CHRM1 P11229 2/20 0.46
▸ ADRA1A P35348 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ HRH1 P35367 2/20 0.46
▸ CACNA1F O60840 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ CACNA1D Q01668 1/20 0.46
▸ CACNA1S Q13698 1/20 0.46
▸ CACNA1C Q13936 1/20 0.46
▸ SCN5A Q14524 1/20 0.46
▸ TAAR1 Q96RJ0 3/20 0.46
▸ AOC3 Q16853 1/20 0.46
▸ SLC6A4 P31645 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HTR1A P08908 1/20 0.43

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
SCHEMBL13900375 0.84 HRH1 (0.61) CHRM2CHRM1ADRA1ASLC6A3KCNH2
SCHEMBL13900797 0.80 TAAR1 (0.59) RIPK1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL16368620 0.79 RIPK1 (0.59) RIPK1HRH1AOC3SLC6A4LMNA
SCHEMBL3428508 0.78 HTT (0.51) RIPK1CHRM2CHRM1ADRA1ASLC6A3
SCHEMBL2471404 0.78 HTR2A (0.69) RIPK1CHRM1SLC6A3KCNH2HRH1
SCHEMBL14494818 0.78 HTR2A (0.69) RIPK1CHRM1SLC6A3KCNH2HRH1
SCHEMBL19905186 0.78 HTR2A (0.69) RIPK1CHRM1SLC6A3KCNH2HRH1
SCHEMBL11489472 0.78 AKT1 (0.44) RIPK1LMNAKMT2ANPSR1
SCHEMBL11496245 0.78 RIPK1 (0.35) RIPK1LMNAALDH1A1HTTKMT2A
SCHEMBL11584067 0.77 HRH1 (0.63) CHRM2CHRM1ADRA1ASLC6A3KCNH2

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
US-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-09-26 — — US disclosed
US-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-09-26 — — US disclosed
US-20220119388-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2022-04-21 — — US 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 (3 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-20220119388-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS RIPK1, RIPK3, RIPK4 RIPK1 1/4885CHRM2 4819/4885CHRM1 4607/4885
US-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors RIPK1, RIPK3, RIPK4 RIPK1 1/4885CHRM2 4819/4885CHRM1 4607/4885
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 RIPK1 1/4885CHRM2 4111/4885CHRM1 3581/4885

“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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