SCHEMBL22957691

SCHEMBL22957691

CC(C)NCc1cc(F)ccc1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.44
▸ CCR5 P51681 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KCNH2 Q12809 5/20 0.41
▸ HTR2A P28223 6/20 0.40
▸ SLC6A4 P31645 6/20 0.40
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ RIPK1 Q13546 3/20 0.37
▸ CASR P41180 1/20 0.37
▸ MRGPRX1 Q96LB2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 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
SCHEMBL22957708 0.88 NTRK1 (0.42) NTRK1ALDH1A1KCNH2HTR2ASLC6A4
SCHEMBL22957928 0.85 NTRK1 (0.41) NTRK1ALDH1A1KCNH2HTR2ASLC6A4
SCHEMBL22957698 0.84 SLC6A4 (0.56) NTRK1ALDH1A1KCNH2HTR2ASLC6A4
SCHEMBL22957693 0.84 ATM (0.46) CCR5ALDH1A1RAB9ASLC6A4
SCHEMBL22957865 0.82 KCNH2 (0.42) CCR5ALDH1A1RAB9AKCNH2HTR2A
SCHEMBL14012652 0.82 KCNH2 (0.52) NTRK1CCR5ALDH1A1RAB9AKCNH2
SCHEMBL22957926 0.78 NTRK1 (0.43) NTRK1ALDH1A1KCNH2HTR2ASLC6A4
SCHEMBL28613921 0.76 ALDH1A1 (0.44) NTRK1ALDH1A1KCNH2HTR2ASLC6A4
SCHEMBL24180218 0.76 PPARG (0.40) NTRK1ALDH1A1RAB9AMRGPRX1CYP1A2
SCHEMBL22390440 0.76 NTRK1 (0.40) NTRK1ALDH1A1ADRA1DADRA1AADRA1B

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 NTRK1 448/4885CCR5 2773/4885ALDH1A1 4194/4885

“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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