SCHEMBL14524914

SCHEMBL14524914

Cc1cc(-c2ccc(C#N)cc2)c(C)cc1CO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.44
▸ CYP11B2 P19099 3/20 0.42
▸ MMP3 P08254 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ GRM2 Q14416 1/20 0.36
▸ PTGER4 P35408 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
SCHEMBL14525155 0.86 AR (0.42) ARCYP11B2MMP3ALDH1A1CYP2A6
SCHEMBL14525308 0.82 AR (0.38) ARCYP11B2MMP3KDM1ANSD2
SCHEMBL3997043 0.81 MMP3 (0.46) ARCYP11B2MMP3ALDH1A1CYP2A6
SCHEMBL8028511 0.80 HRH2 (0.42) ARCYP11B2
SCHEMBL17059023 0.78 PTGER4 (0.37) ARCYP11B2MMP3ALDH1A1KDM1A
SCHEMBL8436238 0.77 CYP2A6 (0.41) ARALDH1A1CYP2A6
SCHEMBL410177 0.77 CYP2A6 (0.41) ARALDH1A1CYP2A6
SCHEMBL27784607 0.76 KIF11 (0.43) CYP11B2MMP3ALDH1A1CYP2A6NSD2
SCHEMBL25871771 0.76 ALDH1A1 (0.48) ARCYP11B2ALDH1A1CYP2A6
SCHEMBL23958923 0.75 MAOB (0.43) CYP11B2MMP3ALDH1A1CYP2A6KIF11

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-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 — — 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 AR 31/4885CYP11B2 1846/4885MMP3 1454/4885

“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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