SCHEMBL4403161

SCHEMBL4403161

NCCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.86
HTR2A P28223 6/20 0.86
TAAR1 Q96RJ0 1/20 0.54
SIGMAR1 Q99720 3/20 0.53
MAOA P21397 1/20 0.48
SLC7A5 Q01650 7/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45

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
SCHEMBL2836377 0.98 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1MAOA
SCHEMBL11329969 0.98 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1MAOA
SCHEMBL2849801 0.98 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1MAOA
SCHEMBL29060377 0.98 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1MAOA
SCHEMBL1204774 0.98 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1MAOA
SCHEMBL11328616 0.98 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1MAOA
SCHEMBL5089222 0.98 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1MAOA
Hydrochloric Acid SCHEMBL11757649 0.96 HRH1 (0.79) HRH1HTR2ATAAR1SIGMAR1MAOA
SCHEMBL157808 0.93 HRH1 (1.00) HRH1HTR2ATAAR1SIGMAR1CHRNB2
Bromide SCHEMBL10687139 0.91 HRH1 (0.95) HRH1HTR2ATAAR1SIGMAR1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303308-B1 SEPARATION OF ENANTIOMERS OF 3-ETHYLBICYCLO[3.2.0]HEPT-3-EN-6-ONE NOVASSAY SA (CH) 2019-10-09 EP disclosed
US-7605261-B2 Urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AMGEN INC. (US) 2009-10-20 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2007-07-26 US disclosed
US-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases MUELLER ALAN L 2006-06-29 US disclosed
US-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use PROSKELIA SAS (FR) 2004-03-18 US disclosed
EP-1358171-A2 NOVEL UREA DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2003-11-05 EP disclosed
WO-2002059102-A2 UREA DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE AVENTIS PHARMA S.A. (FR) 2002-08-01 WO disclosed
US-6211245-B1 DRUGS FOR CONTROLLING CALCIUM MODULATORS NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
EP-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
US-6017965-A TREATING STROKE, HEAD TRAUMA, SPINAL CORD INJURY, SPINAL CORD ISCHEMIA, ISCHEMIA- OR HYPOXIA-INDUCED NERVE CELL DAMAGE, EPILEPSY, ANXIETY, NEUROPSYCHIATRIC OR COGNITIVE DEFICITS DUE TO ISCHEMIA OR HYPOXIA NPS PHARMACEUTICALS, INC. (US) 2000-01-25 US disclosed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed
EP-0163458-A1 Tetrahydronaphthalenols for the treatment of hypertension E.R. Squibb & Sons, Inc. (US) 1985-12-04 EP disclosed
US-4098890-A METHOD FOR TREATING ARRHYTHMIA ELI LILLY AND COMPANY (US) 1978-07-04 US disclosed
US-3987201-A ARYL AMINES ELI LILLY AND COMPANY (US) 1976-10-19 US disclosed
US-3953458-A HYPOTENSIVE AGENTS MARION LABORATORIES, INC. (US) 1976-04-27 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-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use HRH4, HRH2, RPS2 HRH1 7/4885HTR2A 2000/4885TAAR1 1443/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 HRH1 80/4885HTR2A 2598/4885TAAR1 1614/4885
US-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D HRH1 403/4885HTR2A 390/4885TAAR1 1698/4885

“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.