SCHEMBL3569730

SCHEMBL3569730

c1cc2c(c(N3CCNCC3)c1)OCOC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.54
HTR6 P50406 7/20 0.46
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
HTR2A P28223 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
CYP1A2 P05177 1/20 0.44
HTR1A P08908 1/20 0.44
CYP2D6 P10635 1/20 0.44
NCF1 P14598 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR7 P34969 1/20 0.44
MTOR P42345 1/20 0.44
HTR3A P46098 1/20 0.44
HTR5A P47898 1/20 0.44

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
SCHEMBL3605711 0.78 ADRB1 (0.65) ADRB1HTR6DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL5365168 0.77 ADRB1 (0.63) ADRB1HTR6DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL5223815 0.77 ADRB1 (0.63) ADRB1HTR6DRD2DRD3HTR2A
SCHEMBL5362857 0.76 ADRB1 (0.47) ADRB1HTR6DRD2DRD3HTR2A
SCHEMBL6266386 0.76 ADRB1 (0.77) ADRB1HTR6DRD2DRD3HTR2A
SCHEMBL3615477 0.76 ADRB1 (0.61) ADRB1HTR6DRD2DRD3HTR2A
SCHEMBL28532171 0.76 ADRB1 (0.54) ADRB1HTR6DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL12478620 0.75 ADRB1 (0.74) ADRB1HTR6DRD2DRD3HTR2A
SCHEMBL4948654 0.75 ADRB1 (0.60) ADRB1HTR6DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL5362928 0.75 ADRB1 (0.60) ADRB1HTR6DRD2DRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0189612-B1 NEW PHARMACEUTICAL COMPOSITIONS HAVING A PSYCHOTROPIC ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1992-11-04 EP claimed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
EP-1888559-A2 PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR Wyeth a Corporation of the State of Delaware (US) 2008-02-20 EP disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 US disclosed
WO-2006135839-A2 PIPERAZINE-PIPERIDINE ANTAGONISTS AND AGONISTS OF THE 5-HT1A RECEPTOR WYETH (US) 2006-12-21 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 (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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A ADRB1 456/4885HTR6 1/4885DRD2 242/4885
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction HTR5A, HTR2C, HTR1D ADRB1 59/4885HTR6 16/4885DRD2 22/4885

“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.