SCHEMBL13636330

SCHEMBL13636330

CN1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 1.00
HPGD P15428 1/20 0.75
CHKA P35790 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.63
USP2 O75604 1/20 0.63
TSHR P16473 1/20 0.63
GAA P10253 1/20 0.61
POLB P06746 1/20 0.57
FABP6 P51161 1/20 0.55

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 SCHEMBL1177194 0.99 HRH3 (0.97) HRH3HPGDCHKASMN1; SMN2USP2
SCHEMBL1014002 0.90 HPGD (0.86) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL10184001 0.88 HRH3 (0.78) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL1450838 0.87 HRH3 (0.78) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL1177617 0.86 HRH3 (0.75) HRH3HPGDCHKASMN1; SMN2USP2
SCHEMBL3456205 0.86 HPGD (1.00) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL13636488 0.86 HRH3 (1.00) HRH3HPGDCHKAPOLBFABP6
SCHEMBL521532 0.85 HRH3 (1.00) HRH3HPGD
Hydrochloric Acid SCHEMBL1177198 0.84 HRH3 (0.97) HRH3HPGDCHKAPOLBFABP6
Hydrochloric Acid SCHEMBL1450562 0.84 HRH3 (0.97) HRH3HPGD

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 3/4885HPGD 384/4885CHKA 794/4885

“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.