Sugi Predict

Sugi Predict / Compounds / SCHEMBL13150782

SCHEMBL13150782

SCHEMBL13150782

c1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.83
▸ SIGMAR1 Q99720 3/20 0.79
▸ HTR1A P08908 1/20 0.77
▸ DRD2 P14416 1/20 0.77
▸ ACHE P22303 1/20 0.68
▸ CCR3 P51677 1/20 0.66
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ KCNH2 Q12809 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65

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
SCHEMBL7264546 1.00 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL14407778 1.00 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL6056974 1.00 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL10685564 0.93 SIGMAR1 (0.80) SLC6A3SIGMAR1HTR1ADRD2CCR3
SCHEMBL422176 0.91 SIGMAR1 (0.76) SLC6A3SIGMAR1HTR1ADRD2ACHE
Hydrochloric Acid SCHEMBL9222207 0.91 SLC6A3 (0.84) SLC6A3SIGMAR1HTR1ADRD2ACHE
Hydrochloric Acid SCHEMBL11076651 0.91 SIGMAR1 (0.77) SLC6A3SIGMAR1HTR1ADRD2CCR3
SCHEMBL9597186 0.91 SLC6A3 (0.91) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL2876271 0.91 SLC6A3 (1.00) SLC6A3SIGMAR1HTR1ADRD2ACHE
SCHEMBL9410829 0.89 SLC6A3 (0.68) SLC6A3SIGMAR1HTR1ADRD2ACHE

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031840-A1 1,4-Disubstituted Piperidines, 1,4-Disubstituted Piperazines, 1,4-Disubstituted Diazepines, and 1,3-Disubstituted Pyrrolidine Compounds UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2016-02-04 — — US claimed
EP-3664787-B1 USE OF SELECTIVE SEROTONIN 5-HT1A RECEPTOR AGONISTS FOR TREATING SIDE-EFFECTS OF VMAT INHIBITORS NEUROLIXIS (FR) 2022-07-20 — — EP disclosed
US-11191758-B2 Use of selective serotonin 5-HT1A receptor agonists for treating side-effects of VMAT inhibitors NEUROLIXIS (FR) 2021-12-07 — — US disclosed
US-20200155535-A1 Use Of Selective Serotonin 5-HT1A Receptor Agonists For Treating Side-Effects Of VMAT Inhibitors NEUROLIXIS (FR) 2020-05-21 — — US disclosed
US-20170226072-A1 1,4-Disubstituted Piperidines, 1,4-Disubstituted Piperazines, 1,4-Disubstituted Diazepines, and 1,3-Disubstituted Pyrrolidine Compounds UNIV KENTUCKY RES FOUND (US) 2017-08-10 — — US disclosed
US-20160031840-A1 1,4-Disubstituted Piperidines, 1,4-Disubstituted Piperazines, 1,4-Disubstituted Diazepines, and 1,3-Disubstituted Pyrrolidine Compounds UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2016-02-04 — — US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 — — US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 — — US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 — — US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 — — US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 — — US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 — — US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 — — US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 — — US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 — — US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 — — 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 (7 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-20070004750-A1 N-substituted piperazines PRXL2A, CNPY2, CYP4X1 SLC6A3 3350/4885SIGMAR1 251/4885HTR1A 1265/4885
US-11191758-B2 Use of selective serotonin 5-HT1A receptor agonists for treating side-effects of VMAT inhibitors HTR5A, HTR1A, HTR2A SLC6A3 13/4885SIGMAR1 382/4885HTR1A 2/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 SLC6A3 3350/4885SIGMAR1 251/4885HTR1A 1265/4885
US-20200155535-A1 Use Of Selective Serotonin 5-HT1A Receptor Agonists For Treating Side-Effects Of VMAT Inhibitors HTR1A, HTR5A, HTR2A SLC6A3 15/4885SIGMAR1 398/4885HTR1A 1/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 SLC6A3 3350/4885SIGMAR1 251/4885HTR1A 1265/4885
US-20160031840-A1 1,4-Disubstituted Piperidines, 1,4-Disubstituted Piperazines, 1,4-Disubstituted Diazepines, and 1,3-Disubstituted Pyrrolidine Compounds GRM1, BRD4, DRD1 SLC6A3 384/4885SIGMAR1 1327/4885HTR1A 42/4885
US-20170226072-A1 1,4-Disubstituted Piperidines, 1,4-Disubstituted Piperazines, 1,4-Disubstituted Diazepines, and 1,3-Disubstituted Pyrrolidine Compounds GRM1, BRD4, DRD1 SLC6A3 384/4885SIGMAR1 1327/4885HTR1A 42/4885

“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.