SCHEMBL4386431

SCHEMBL4386431

CCC(C)N1CCN(C(=O)c2ccc(C=O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.53
HRH3 Q9Y5N1 9/20 0.52
DRD3 P35462 1/20 0.51
KDM4E B2RXH2 1/20 0.47
CHRNA7 P36544 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.43
OPRM1 P35372 1/20 0.42

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
SCHEMBL4383383 0.87 HRH3 (0.61) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL522002 0.85 CHRNA7 (0.61) HRH3CHRNA7ALDH1A1MEN1LMNA
SCHEMBL4387836 0.85 HRH3 (0.46) GPR183HRH3DRD3CHRNA7ALDH1A1
SCHEMBL20645773 0.83 HRH3 (0.46) GPR183HRH3DRD3KDM4EALDH1A1
SCHEMBL13447875 0.82 BLM (0.62) DRD3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3919943 0.82 HRH3 (0.56) GPR183HRH3DRD3KDM4ECHRNA7
SCHEMBL3920077 0.81 CHRNA7 (0.67) HRH3CHRNA7ALDH1A1MEN1LMNA
SCHEMBL2050814 0.80 ALDH1A1 (0.50) GPR183HRH3CHRNA7ALDH1A1MEN1
SCHEMBL2041678 0.79 CYP2D6 (0.53) HRH3DRD3ALDH1A1MEN1LMNA
SCHEMBL1177293 0.78 HRH3 (0.78) HRH3DRD3KDM4ECHRNA7ALDH1A1

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 13 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
EP-1558595-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-03 EP disclosed
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA N.V. (BE) 2004-06-10 US disclosed
WO-2004037801-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 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 (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 GPR183 3162/4885HRH3 3/4885DRD3 2332/4885
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides HRH2, HNMT, HRH3 GPR183 3162/4885HRH3 3/4885DRD3 2332/4885

“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.