SCHEMBL120164

SCHEMBL120164

CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 1.00
CHRNA7 P36544 1/20 0.65
HPGD P15428 1/20 0.61

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
SCHEMBL13636331 1.00 HRH3 (1.00) HRH3CHRNA7HPGD
Hydrochloric Acid SCHEMBL1177654 0.99 HRH3 (0.97) HRH3CHRNA7HPGD
SCHEMBL4932023 0.99 HRH3 (1.00) HRH3CHRNA7HPGD
Hydrochloric Acid SCHEMBL1177298 0.97 HRH3 (0.97) HRH3CHRNA7HPGD
SCHEMBL1177694 0.93 HRH3 (0.89) HRH3CHRNA7
SCHEMBL1177345 0.88 HRH3 (0.79) HRH3CHRNA7HPGD
SCHEMBL1177462 0.88 HRH3 (0.79) HRH3CHRNA7HPGD
SCHEMBL1177159 0.87 HRH3 (0.79) HRH3CHRNA7
SCHEMBL1177699 0.87 HRH3 (0.77) HRH3HPGD
SCHEMBL521532 0.87 HRH3 (1.00) 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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160089378-A1 TREATMENT OF OSTEOARTHRITIS PAIN ABBVIE INC (US) 2016-03-31 US claimed
EP-2424528-A2 TREATMENT OF OSTEOARTHRITIS PAIN Abbott Laboratories (US) 2012-03-07 EP claimed
WO-2010129242-A2 TREATMENT OF OSTEOARTHRITIS PAIN ABBOTT LABORATORIES (US) 2010-11-11 WO claimed
US-20100273778-A1 TREATMENT OF OSTEOARTHRITIS PAIN ABBOTT LABORATORIES (US) 2010-10-28 US claimed
EP-1558595-B1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA NV (BE) 2009-11-25 EP claimed
CN-100558718-C Piperazinyl and diazacyclo heptyl benzene methane amide and thiobenzamide JANSSEN PHARMACEUTICA NV (BE) 2009-11-11 CN claimed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US claimed
WO-2009082698-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-07-02 WO claimed
US-7414047-B2 Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-19 US claimed
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES APODACA RICHARD L 2008-03-06 US claimed
CN-1729180-A Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA NV (BE) 2006-02-01 CN claimed
EP-1558595-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-03 EP claimed
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA N.V. (BE) 2004-06-10 US claimed
WO-2004037801-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO claimed
US-20160089378-A1 TREATMENT OF OSTEOARTHRITIS PAIN ABBVIE INC (US) 2016-03-31 US disclosed
US-9186353-B2 Treatment of osteoarthritis pain ABBVIE INC. (US) 2015-11-17 US disclosed
US-8680273-B2 Process for the preparation of piperazinyl and diazepanyl benzamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US 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 (5 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-20160089378-A1 TREATMENT OF OSTEOARTHRITIS PAIN HRH3, HRH4, HRH2 HRH3 1/4885CHRNA7 436/4885HPGD 660/4885
US-20100273778-A1 TREATMENT OF OSTEOARTHRITIS PAIN HRH3, HRH4, HRH2 HRH3 1/4885CHRNA7 436/4885HPGD 660/4885
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES HRH2, HNMT, HRH3 HRH3 3/4885CHRNA7 297/4885HPGD 384/4885
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides HRH2, HNMT, HRH3 HRH3 3/4885CHRNA7 297/4885HPGD 384/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 HRH3 24/4885CHRNA7 5/4885HPGD 1323/4885

“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.