SCHEMBL4476938

SCHEMBL4476938

O=C(Nc1ccc2c(c1)CCO2)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
IDH1 O75874 1/20 0.46

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
SCHEMBL1825223 0.82 GPR119 (0.45) MAPTCYP1A2CYP2C19CYP2C9NPC1
SCHEMBL16711720 0.81 CA12 (0.56) CA12CA1CA2CA9MAPT
SCHEMBL2245426 0.80 CYP1A2 (0.69) CA12CA1CA2CA9MAPT
SCHEMBL11242394 0.77 CA12 (0.55) CA12CA1CA2CA9MAPT
SCHEMBL12922744 0.77 GAA (0.71) CA12CA1CA2CA9MAPT
SCHEMBL30148404 0.76 CA12 (0.52) CA12CA1CA2CA9MAPT
SCHEMBL16716142 0.76 CA12 (0.52) CA12CA1CA2CA9MAPT
SCHEMBL4524922 0.75 SMN1; SMN2 (0.61) CA12CA1CA2CA9MAPT
SCHEMBL4822117 0.74 CA12 (0.50) CA12CA1CA2CA9MAPT
SCHEMBL7490063 0.74 PTGES (0.41) MAPTCYP1A2CYP2C19CYP2C9HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20060167052-A1 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1553084-A1 PIPERIDINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060167052-A1 Piperidine derivative, process for producing the same, and use OPRL1, OXTR, OPRM1 CA12 4795/4885CA1 3859/4885CA2 2148/4885

“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.