SCHEMBL4563153

SCHEMBL4563153

C[C@H](CN(C(=O)C1CCCCC1)c1ccccn1)N1CCN(c2cc3ccccc3[nH]2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.56
HTR1A P08908 6/20 0.48
ADRA1A P35348 5/20 0.48
DRD4 P21917 4/20 0.48
ADRA1B P35368 4/20 0.48
HTR7 P34969 2/20 0.48
HTR2B P41595 2/20 0.48
HTR2A P28223 1/20 0.48
ADRA1D P25100 3/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTR1B P28222 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4424774 0.82 OPRM1 (0.56) OPRM1HTR1AADRA1ADRD4ADRA1B
SCHEMBL8136249 0.82 HTR1A (0.65) HTR1AADRA1ADRD4ADRA1BHTR7
SCHEMBL13533329 0.80 OPRM1 (0.55) OPRM1HTR1AADRA1ADRD4ADRA1B
SCHEMBL13533328 0.80 OPRM1 (0.55) OPRM1HTR1AADRA1ADRD4ADRA1B
SCHEMBL8001428 0.79 HTR1A (0.73) OPRM1HTR1AADRA1ADRD4ADRA1B
SCHEMBL9051902 0.79 HTR1A (0.73) OPRM1HTR1AADRA1ADRD4ADRA1B
SCHEMBL8011497 0.79 HTR1A (0.73) OPRM1HTR1AADRA1ADRD4ADRA1B
SCHEMBL13085826 0.76 HTR1A (0.72) OPRM1HTR1AADRA1ADRD4ADRA1B
SCHEMBL13085827 0.76 HTR1A (0.72) OPRM1HTR1AADRA1ADRD4ADRA1B
SCHEMBL8543106 0.75 OPRM1 (0.62) OPRM1HTR1AADRA1ADRD4ADRA1B

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 22 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
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
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-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
US-20080032965-A1 Method for enhancing cognitive function WYETH 2008-02-07 US disclosed
WO-2007081374-A1 SEROTONERGIC AGENTS FOR TREATING SEXUAL DYSFUNCTION WYETH (US) 2007-07-19 WO disclosed
EP-1534258-A2 AGONISM OF THE 5HT 2a RECEPTOR FOR TREATMENT OF THERMOREGULATORY DYSFUNCTION Wyeth (US) 2005-06-01 EP disclosed
US-20040063721-A1 Agonism of the 5HT2A receptor for treatment of thermoregulatory dysfunction WYETH 2004-04-01 US disclosed
WO-2004016256-A2 AGONISM OF THE 5HT2a RECEPTOR FOR TREATMENT OF THERMOREGULATORY DYSFUNCTION WYETH (US) 2004-02-26 WO 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

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 140/4885HTR1A 2/4885ADRA1A 30/4885
US-20080032965-A1 Method for enhancing cognitive function HTR2A, HTR5A, HTR1A OPRM1 149/4885HTR1A 3/4885ADRA1A 62/4885
US-20080070925-A1 SEROTONERGIC AGENTS FOR TREATING SEXUAL DYSFUNCTION HTR5A, HTR1A, HTR3A OPRM1 140/4885HTR1A 2/4885ADRA1A 30/4885

“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.