SCHEMBL4386969

SCHEMBL4386969

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

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.64
HPGD P15428 2/20 0.58
POLB P06746 2/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
LMNA P02545 1/20 0.52
GPR183 P32249 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL16809564 0.83 CHRNA7 (0.64) HRH3HPGDPOLBKMT2AMEN1
SCHEMBL4383383 0.82 HRH3 (0.61) HRH3POLBKMT2AMEN1ALDH1A1
SCHEMBL13636467 0.80 HRH3 (0.76) HRH3POLBKMT2AMEN1
SCHEMBL27658237 0.80 HPGD (0.60) HRH3HPGDPOLBKMT2AMEN1
SCHEMBL16098566 0.80 BLM (0.71) HPGDPOLBKMT2ACA12CA1
SCHEMBL1176971 0.79 HRH3 (0.76) HRH3HPGDPOLBKMT2AMEN1
Hydrochloric Acid SCHEMBL1177557 0.79 HRH3 (0.74) HRH3POLBKMT2AMEN1
SCHEMBL1177537 0.78 HRH3 (0.77) HRH3HPGD
SCHEMBL1177699 0.78 HRH3 (0.77) HRH3HPGD
SCHEMBL4383596 0.78 HRH3 (1.00) HRH3POLBKMT2AMEN1ALDH1A1

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 9 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
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
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 HRH3 3/4885HPGD 384/4885POLB 3601/4885
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides HRH2, HNMT, HRH3 HRH3 3/4885HPGD 384/4885POLB 3601/4885

“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.