SCHEMBL13636329

SCHEMBL13636329

CC(C)N1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 1.00
LSS P48449 2/20 0.62
CHRNA7 P36544 1/20 0.57
LTB4R2 Q9NPC1 1/20 0.55
SLC6A4 P31645 2/20 0.54
EPHX2 P34913 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
Hydrochloric Acid SCHEMBL1177574 0.99 HRH3 (0.97) HRH3LSSCHRNA7LTB4R2SLC6A4
SCHEMBL1177293 0.88 HRH3 (0.78) HRH3LSSCHRNA7LTB4R2SLC6A4
SCHEMBL13636467 0.86 HRH3 (0.76) HRH3LSS
SCHEMBL13636471 0.86 HRH3 (1.00) HRH3LSSCHRNA7LTB4R2SLC6A4
Hydrochloric Acid SCHEMBL1177209 0.85 HRH3 (0.97) HRH3LSSCHRNA7LTB4R2SLC6A4
Hydrochloric Acid SCHEMBL1177557 0.85 HRH3 (0.74) HRH3LSS
SCHEMBL3916721 0.84 HRH3 (0.72) HRH3CHRNA7LTB4R2EPHX2
SCHEMBL1177694 0.81 HRH3 (0.89) HRH3LSSCHRNA7
SCHEMBL20245324 0.81 HRH3 (0.69) HRH3CHRNA7LTB4R2EPHX2
SCHEMBL4783870 0.81 HRH3 (0.67) HRH3CHRNA7LTB4R2SLC6A4EPHX2

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 5 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
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

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-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES HRH2, HNMT, HRH3 HRH3 3/4885LSS 3753/4885CHRNA7 297/4885

“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.