SCHEMBL4424774

SCHEMBL4424774

CC(CN(C(=O)C1CCCCC1)c1ccccn1)N1CCN(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
HTR1A P08908 8/20 0.51
ADRA1A P35348 5/20 0.51
DRD4 P21917 4/20 0.51
ADRA1B P35368 4/20 0.51
ADRA1D P25100 3/20 0.51
HTR7 P34969 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2B P41595 2/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTR2A P28223 1/20 0.48
LMNA P02545 2/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 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
SCHEMBL13533328 0.90 OPRM1 (0.55) OPRM1SMN1; SMN2HTR1AADRA1ADRD4
SCHEMBL13533329 0.90 OPRM1 (0.55) OPRM1SMN1; SMN2HTR1AADRA1ADRD4
SCHEMBL9051902 0.83 HTR1A (0.73) OPRM1SMN1; SMN2HTR1AADRA1ADRD4
SCHEMBL8001428 0.83 HTR1A (0.73) OPRM1SMN1; SMN2HTR1AADRA1ADRD4
SCHEMBL8011497 0.83 HTR1A (0.73) OPRM1SMN1; SMN2HTR1AADRA1ADRD4
SCHEMBL8136258 0.82 HTR1A (0.70) SMN1; SMN2HTR1AADRA1ADRD4ADRA1B
SCHEMBL4563153 0.82 OPRM1 (0.56) OPRM1SMN1; SMN2HTR1AADRA1ADRD4
SCHEMBL13085826 0.81 HTR1A (0.72) OPRM1SMN1; SMN2HTR1AADRA1ADRD4
SCHEMBL13085827 0.81 HTR1A (0.72) OPRM1SMN1; SMN2HTR1AADRA1ADRD4
SCHEMBL8543106 0.80 OPRM1 (0.62) OPRM1SMN1; SMN2HTR1AADRA1ADRD4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026783-A2 METHOD FOR ENHANCING COGNITIVE FUNCTION Wyeth a Corporation of the State of Delaware (US) 2009-02-25 EP claimed
EP-1971337-A1 SEROTONERGIC AGENTS FOR TREATING SEXUAL DYSFUNCTION Wyeth a Corporation of the State of Delaware (US) 2008-09-24 EP claimed
US-20080032965-A1 Method for enhancing cognitive function WYETH 2008-02-07 US claimed
WO-2007146073-A2 METHOD FOR ENHANCING COGNITIVE FUNCTION WYETH (US) 2007-12-21 WO claimed
WO-2007081374-A1 SEROTONERGIC AGENTS FOR TREATING SEXUAL DYSFUNCTION WYETH (US) 2007-07-19 WO claimed
US-20060287335-A1 Serotonergic agents for treating sexual dysfunction WYETH (US) 2006-12-21 US claimed
EP-1534258-A2 AGONISM OF THE 5HT 2a RECEPTOR FOR TREATMENT OF THERMOREGULATORY DYSFUNCTION Wyeth (US) 2005-06-01 EP claimed
US-20040063721-A1 Agonism of the 5HT2A receptor for treatment of thermoregulatory dysfunction WYETH 2004-04-01 US claimed
WO-2004016256-A2 AGONISM OF THE 5HT2a RECEPTOR FOR TREATMENT OF THERMOREGULATORY DYSFUNCTION WYETH (US) 2004-02-26 WO claimed
EP-0763031-B1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 2000-05-10 EP claimed
EP-0763031-A1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1997-03-19 EP claimed
WO-1995033743-A1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1995-12-14 WO claimed
EP-2026783-A2 METHOD FOR ENHANCING COGNITIVE FUNCTION Wyeth a Corporation of the State of Delaware (US) 2009-02-25 EP disclosed
EP-1971337-A1 SEROTONERGIC AGENTS FOR TREATING SEXUAL DYSFUNCTION Wyeth a Corporation of the State of Delaware (US) 2008-09-24 EP disclosed
US-7425558-B2 -4-substituted-N-(2-(4-(2,3-dihydro-benzo(1,4)dioxin-5-yl)-piperazin -1-yl)propy l)-N-pyridin-2-yl-benzamide or salts; 5-HT1A receptor antagonists; urinary incontinence WYETH (US) 2008-09-16 US disclosed
US-20080070925-A1 SEROTONERGIC AGENTS FOR TREATING SEXUAL DYSFUNCTION WYETH LLC 2008-03-20 US disclosed
EP-0763031-B1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 2000-05-10 EP disclosed
US-5723464-A CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY OR DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-03 US disclosed
EP-0763031-A1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033743-A1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1995-12-14 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 (3 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-20060287335-A1 Serotonergic agents for treating sexual dysfunction HTR5A, HTR1A, HTR3A OPRM1 140/4885SMN1; SMN2 1093/4885HTR1A 2/4885
US-20080032965-A1 Method for enhancing cognitive function HTR2A, HTR5A, HTR1A OPRM1 149/4885SMN1; SMN2 987/4885HTR1A 3/4885
US-20080070925-A1 SEROTONERGIC AGENTS FOR TREATING SEXUAL DYSFUNCTION HTR5A, HTR1A, HTR3A OPRM1 140/4885SMN1; SMN2 1093/4885HTR1A 2/4885

“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.