SCHEMBL4485291

SCHEMBL4485291

CC(C)(C)OC(=O)CNc1cccc(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 5/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRK2 P25098 1/20 0.46
GRK5 P34947 1/20 0.46
GRK3 P35626 1/20 0.46
PARP1 P09874 12/20 0.45
PARP10 Q53GL7 8/20 0.45
PARP15 Q460N3 4/20 0.45
AKR1C3 P42330 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PTPRC P08575 2/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41

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
SCHEMBL4490577 0.87 AKR1C3 (0.60) MEN1KMT2AAKR1C3CA12CA2
SCHEMBL15057284 0.87 HPGD (0.48) MEN1KMT2AAKR1C3
SCHEMBL7429994 0.86 CASR (0.52) MEN1KMT2AAKR1C3
SCHEMBL11283115 0.85 PARP1 (0.52) PARP14MEN1KMT2AGRK2GRK5
SCHEMBL11088028 0.85 AKR1C3 (0.47) GRK2GRK3AKR1C3CA12CA1
SCHEMBL4119738 0.83 ALDH1A1 (0.47) MEN1KMT2AAKR1C3CA12CA1
SCHEMBL24077532 0.83 ALDH1A1 (0.53) MEN1KMT2A
SCHEMBL3763507 0.81 VSIR (0.53) MEN1KMT2ACA12CA1CA2
SCHEMBL12121617 0.81 MAPT (0.55) MEN1KMT2AGRK2
SCHEMBL11093055 0.81 AKR1C3 (0.43) MEN1KMT2AGRK2GRK3AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576105-B2 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICA, NV (BE) 2009-08-18 US disclosed
US-20060106066-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives BAXTER ELLEN W 2006-05-18 US disclosed
WO-2004035541-A1 BENZYL SUBSTITUTED (PIPERIDIN-4-YL) AMINOBENZAMIDO DERIVATIVES AS DELTA-OPIOD RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 WO disclosed
US-20040082612-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICALS N.V. (BE) 2004-04-29 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 (2 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-20060106066-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives OPRD1, OPRK1, OPRM1 PARP14 1158/4885MEN1 4868/4885KMT2A 1430/4885
US-20040082612-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives OPRD1, OPRK1, OPRM1 PARP14 1158/4885MEN1 4868/4885KMT2A 1430/4885

“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.