SCHEMBL22957705

SCHEMBL22957705

CCC(C)NCc1cccc(OCC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CASR P41180 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ MEF2D Q14814 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ CYP2C19 P33261 2/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL22957707 0.87 MEN1 (0.45) MEN1KMT2ACASRHDAC4MEF2D
SCHEMBL13074511 0.80 BCHE (0.49) MEN1KMT2AHDAC4MEF2DKDM4E
SCHEMBL8292121 0.80 MRGPRX4 (0.48) HDAC4MEF2DALDH1A1MAPTKDM4E
SCHEMBL12933252 0.79 HDAC4 (0.45) MEN1KMT2AHDAC4MEF2DALDH1A1
SCHEMBL18893217 0.79 HTR2A (0.64) ALDH1A1CYP2D6SIGMAR1LMNAMAPT
SCHEMBL22957720 0.78 BCHE (0.49) MEN1KMT2AHDAC4MEF2DHTR2A
SCHEMBL5947773 0.78 CASR (0.57) MEN1KMT2ACASRCYP2C19CYP17A1
SCHEMBL8186760 0.78 ALDH1A1 (0.49) ALDH1A1MAPTDRD3CYP2C19CYP17A1
SCHEMBL13200644 0.77 SIGMAR1 (0.52) MEN1KMT2AALDH1A1CYP2D6SIGMAR1
SCHEMBL8179186 0.77 TAAR1 (0.46) MEN1KMT2AALDH1A1SIGMAR1LMNA

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 MEN1 3915/4885KMT2A 1255/4885CASR 2710/4885

“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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