SCHEMBL4084100

SCHEMBL4084100

c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.87
KCNH2 Q12809 2/20 0.81
HRH1 P35367 1/20 0.81
KDM4E B2RXH2 1/20 0.81
ALDH1A1 P00352 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
HRH2 P25021 1/20 0.74
HRH4 Q9H3N8 1/20 0.71
LTA4H P09960 1/20 0.70

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
SCHEMBL2823877 1.00 HRH3 (0.87) HRH3KCNH2HRH1KDM4EALDH1A1
Bromide SCHEMBL23393414 0.98 HRH3 (0.84) HRH3KCNH2HRH1KDM4EALDH1A1
SCHEMBL492205 0.98 HRH3 (0.84) HRH3KCNH2HRH1KDM4EALDH1A1
SCHEMBL15920898 0.95 HRH3 (0.82) HRH3KCNH2HRH1KDM4EALDH1A1
SCHEMBL7398556 0.93 HRH3 (0.82) HRH3KCNH2HRH1KDM4EALDH1A1
SCHEMBL491556 0.93 HRH3 (0.82) HRH3KCNH2HRH1KDM4EALDH1A1
SCHEMBL5291543 0.93 HRH3 (0.82) HRH3KCNH2HRH1KDM4EALDH1A1
SCHEMBL492095 0.93 HRH3 (0.82) HRH3KCNH2HRH1KDM4EALDH1A1
SCHEMBL491672 0.93 HRH3 (0.79) HRH3KCNH2HRH1KDM4EALDH1A1
Oxalic Acid SCHEMBL27731873 0.92 KDM4E (0.97) HRH3KCNH2HRH1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002100861-A1 1-(3-PHENYLOXYPROPYL)PIPERIDINE DERIVATIVES AKZO NOBEL N.V. (NL) 2002-12-19 WO claimed
EP-2776437-B1 MODULATORS OF OPIOID RECEPTORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2018-09-26 EP disclosed
US-9708305-B2 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives for the treatment of hormone-dependent diseases UNIVERSITé LAVAL (CA) 2017-07-18 US disclosed
US-20160200685-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES UNIVERSITé LAVAL (CA) 2016-07-14 US disclosed
EP-1874746-B1 DERIVATIVES OF 1-N-AZACYCLOALKYL-3-PHENOXYPROPANE USEFUL FOR THE PREPARATION OF PSYCHOTROPIC MEDICAMENTS BIOPROJET SOC CIV (FR) 2015-11-18 EP disclosed
EP-1874746-B1 DERIVATIVES OF 1-N-AZACYCLOALKYL-3-PHENOXYPROPANE USEFUL FOR THE PREPARATION OF PSYCHOTROPIC MEDICAMENTS BIOPROJET SOC CIV (FR) 2015-11-18 EP disclosed
WO-2015024111-A1 COMPOUNDS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES UNIVERSITE LAVAL (CA) 2015-02-26 WO disclosed
EP-1670460-B1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
WO-2014170343-A1 DEPOLARIZING AGENTS AND NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING DOPAMINERGIC-RELATED DISORDERS ICM (INSTITUT DU CERVEAU ET DE LA MOELLE ÉPINIÈRE) (FR) 2014-10-23 WO disclosed
CN-101258138-B Phenoxypropylpiperidines and -pyrrolidines and their use as histamine h3-receptor ligands BIOPROJET SOC CIV 2013-06-12 CN disclosed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP disclosed
WO-2002100861-A1 1-(3-PHENYLOXYPROPYL)PIPERIDINE DERIVATIVES AKZO NOBEL N.V. (NL) 2002-12-19 WO disclosed
WO-2002100861-A1 1-(3-PHENYLOXYPROPYL)PIPERIDINE DERIVATIVES AKZO NOBEL N.V. (NL) 2002-12-19 WO disclosed
WO-2002100861-A1 1-(3-PHENYLOXYPROPYL)PIPERIDINE DERIVATIVES AKZO NOBEL N.V. (NL) 2002-12-19 WO disclosed
EP-1216244-A1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists Aventis Pharmaceuticals Inc. (US) 2002-06-26 EP disclosed
CN-1292789-A 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AWANDIS PHARMACEUTICAL CORP (US) 2001-04-25 CN disclosed
WO-2001019821-A1 BENZISOXAZOLYL-, PYRIDOISOXAZOLYL- AND BENZTHIENYL-PHENOXY DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2001-03-22 WO disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 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 (1 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-20160200685-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES STS, SHBG, CYP19A1 HRH3 238/4885KCNH2 1486/4885HRH1 194/4885

“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.