SCHEMBL3158223

SCHEMBL3158223

CC(OC(=O)n1ccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ TACR1 P25103 11/20 0.37
▸ CYP26A1 O43174 1/20 0.37
▸ CYP24A1 Q07973 1/20 0.37
▸ TACR3 P29371 2/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ XPO1 O14980 1/20 0.35

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
SCHEMBL3164112 0.77 TACR1 (0.41) ALDH1A1TACR1
SCHEMBL6565471 0.77 FAAH (0.48) CYP26A1CYP24A1
SCHEMBL16697922 0.77 FAAH (0.48) CYP26A1CYP24A1
SCHEMBL23409278 0.77 FAAH (0.48) CYP26A1CYP24A1
SCHEMBL14158628 0.75 CYP24A1 (0.37) ALDH1A1CYP26A1CYP24A1
SCHEMBL543450 0.73 ADRB1 (0.43) TACR1
SCHEMBL5664876 0.73 TACR1 (0.44) TACR1TACR3
SCHEMBL5663860 0.73 TACR1 (0.44) TACR1TACR3
SCHEMBL2451086 0.72 CYP24A1 (0.38) ALDH1A1CYP26A1CYP24A1
SCHEMBL15468481 0.72 CYP17A1 (0.39) ALDH1A1CYP26A1CYP24A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513814-B1 NOVEL PIPERIDINE COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2010-03-17 — — EP disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 — — US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 — — US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 — — US disclosed
US-20050239829-A1 Novel piperidine compound TANABE SEIYAKU CO. LTD. (JP) 2005-10-27 — — 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-20050239829-A1 Novel piperidine compound EP300, BRD1, CBR3 ALDH1A1 207/4885TACR1 379/4885CYP26A1 1665/4885

“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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