SCHEMBL14525155

SCHEMBL14525155

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.42
▸ CYP11B2 P19099 2/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ PTGS1 P23219 1/20 0.37
▸ KDM1A O60341 3/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ FFAR4 Q5NUL3 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
SCHEMBL14524914 0.86 AR (0.44) ARCYP11B2KIF11KDM1AMMP3
SCHEMBL14524884 0.81 FFAR1 (0.41) ARCYP11B2KDM1ANSD2PDE3B
SCHEMBL14525145 0.78 PDE3B (0.37) ARKIF11PTGS1KDM1AMMP3
SCHEMBL19579048 0.78 KIF11 (0.52) ARCYP11B2KIF11PTGS1MMP3
SCHEMBL3997043 0.78 MMP3 (0.46) ARCYP11B2KIF11MMP3ALDH1A1
SCHEMBL16941052 0.77 KIF11 (0.43) CYP11B2KIF11PTGS1KDM1ANSD2
SCHEMBL19579265 0.76 KIF11 (0.50) ARCYP11B2KIF11PTGS1MMP3
SCHEMBL14499519 0.76 KDM1A (0.42) ARCYP11B2KIF11PTGS1KDM1A
SCHEMBL8021406 0.74 KIF11 (0.54) CYP11B2KIF11PTGS1MMP3PDE3B
SCHEMBL14524967 0.74 CYP11B2 (0.40) ARCYP11B2KIF11PTGS1KDM1A

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 2 patents. 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
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 — — WO 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 1846/4885KIF11 4168/4885

“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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