SCHEMBL4377639

SCHEMBL4377639

CC(C)N1CCN(C(=O)c2cccc(C=O)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
CHRNA7 P36544 2/20 0.49
HRH3 Q9Y5N1 9/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
UNG P13051 1/20 0.47
ACACB O00763 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45

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
SCHEMBL2045298 0.86 ALDH1A1 (0.48) ALDH1A1TP53UNGMEN1KMT2A
SCHEMBL4383489 0.84 HPGD (0.56) EPHX2ALDH1A1TP53UNGMEN1
Ammonia Solution, Strong SCHEMBL28325064 0.83 ERN1 (0.55) EPHX2ALDH1A1TP53UNGMEN1
SCHEMBL522002 0.82 CHRNA7 (0.61) EPHX2CHRNA7HRH3ALDH1A1MEN1
SCHEMBL15650472 0.82 HPGD (0.61) ALDH1A1TP53UNGMEN1KMT2A
SCHEMBL15156204 0.82 MEN1 (0.47) ALDH1A1TP53UNGMEN1KMT2A
SCHEMBL10195744 0.81 HPGD (0.68) EPHX2CHRNA7ALDH1A1TP53HTT
SCHEMBL1471436 0.81 HPGD (0.62) ALDH1A1TP53UNGMEN1KMT2A
SCHEMBL13503747 0.80 SMN1; SMN2 (0.70) EPHX2ALDH1A1GAAHTT
SCHEMBL13503921 0.80 MEN1 (0.68) CHRNA7HRH3ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558595-B1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA NV (BE) 2009-11-25 EP disclosed
EP-1558595-B1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA NV (BE) 2009-11-25 EP disclosed
CN-100558718-C Piperazinyl and diazacyclo heptyl benzene methane amide and thiobenzamide JANSSEN PHARMACEUTICA NV (BE) 2009-11-11 CN disclosed
US-7414047-B2 Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-19 US disclosed
US-7414047-B2 Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-19 US disclosed
US-7414047-B2 Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-19 US disclosed
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES APODACA RICHARD L 2008-03-06 US disclosed
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES APODACA RICHARD L 2008-03-06 US disclosed
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES APODACA RICHARD L 2008-03-06 US disclosed
CN-1729180-A Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA NV (BE) 2006-02-01 CN disclosed
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA N.V. (BE) 2004-06-10 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-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES HRH2, HNMT, HRH3 EPHX2 1050/4885CHRNA7 297/4885HRH3 3/4885
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides HRH2, HNMT, HRH3 EPHX2 1050/4885CHRNA7 297/4885HRH3 3/4885

“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.