SCHEMBL932659

SCHEMBL932659

C[C@@H](N)Cc1ccc(CCc2ccco2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.48
SLC6A2 P23975 5/20 0.48
SLC6A4 P31645 4/20 0.48
SLC6A3 Q01959 3/20 0.48
MAOA P21397 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 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
SCHEMBL27593166 0.85 SLC6A2 (0.52) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL13692285 0.80
SCHEMBL2022682 0.80
SCHEMBL14478276 0.80
SCHEMBL29059546 0.80 TAAR1 (0.67) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL309477 0.79 ALDH1A1 (0.40) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL3506512 0.77 ALDH1A1 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL9376259 0.77 GFER (0.56) TAAR1MAOA
SCHEMBL719865 0.74 L3MBTL1 (0.46) MAOA
SCHEMBL21622787 0.73 RAB9A (0.44) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200376-A1 Compositions and Methods For the Treatment Of Obesity and Sexual Dysfunction MERCK & CO., INC. 2008-08-21 US claimed
EP-1807102-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OBESITY AND SEXUAL DYSFUNCTION Merck & Co., Inc. (US) 2007-07-18 EP claimed
WO-2006049933-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OBESITY AND SEXUAL DYSFUNCTION MERCK & CO., INC. (US) 2006-05-11 WO claimed
CN-116249697-A Bicycloheptane pyrrolidine orexin receptor agonists 默沙东有限责任公司 2023-06-09 CN disclosed
EP-3924058-A1 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2021-12-22 EP disclosed
US-20200282061-A1 PHARMACEUTICAL COMPOSITIONS AND DOSAGE FORMS FOR ADMINISTRATION OF HYDROPHOBIC DRUGS LIPOCINE INC. (US) 2020-09-10 US disclosed
WO-2020167706-A1 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-08-20 WO disclosed
EP-2879666-B1 FREE FLOWING, FROZEN COMPOSITIONS COMPRISING A THERAPEUTIC AGENT TAVAKOLI ZAHRA (US) 2020-04-08 EP disclosed
US-20180264117-A1 PHARMACEUTICAL COMPOSITIONS AND DOSAGE FORMS FOR ADMINISTRATION OF HYDROPHOBIC DRUGS LIPOCINE INC. (US) 2018-09-20 US disclosed
US-20180125979-A1 PHARMACEUTICAL COMPOSITIONS AND DOSAGE FORMS FOR ADMINISTRATION OF HYDROPHOBIC DRUGS LIPOCINE INC. (US) 2018-05-10 US disclosed
EP-1866323-B1 GLUCURONIDATED NEBIVOLOL MYLAN LAB INC (US) 2017-05-31 EP disclosed
US-20050272810-A1 Compositions comprising nebivolol MYLAN INSTITUTION INC. (F/K/A UDL LABORATORIES, INC.) 2005-12-08 US disclosed
WO-2004105694-A2 PHARMACEUTICAL COMPOSITIONS AND DOSAGE FORMS FOR ADMINISTRATION OF HYDROPHOBIC DRUGS LIPOCINE, INC. (US) 2004-12-09 WO disclosed
WO-2004087052-A2 OIL-CONTAINING, ORALLY ADMINISTRABLE PHARMACEUTICAL COMPOSITION FOR IMPROVED DELIVERY OF A THERAPEUTIC AGENT LIPOCINE, INC. (US) 2004-10-14 WO disclosed
US-20040115287-A1 Hydrophobic active agent compositions and methods LIPOCINE, INC. 2004-06-17 US disclosed
US-20030235595-A1 Oil-containing, orally administrable pharmaceutical composition for improved delivery of a therapeutic agent LIPOCINE, INC. 2003-12-25 US disclosed
US-20030236236-A1 Pharmaceutical compositions and dosage forms for administration of hydrophobic drugs LIPOCINE INC. 2003-12-25 US disclosed
US-5980882-A A SOLID OR A GEL MEDICINE COMPRISING DEXTROMETHORPHAN, CODEINE, MORPHINE, HYDRCODONE, PSEUDOEPHEDRINE, OR PHENYLPROPANOLAMINE AND COMPLEXED WITH CHELATING AGENT SELECTED FROM EDTA OR A SALT OF EDTA; STORAGE STABILITY MEDEVA PHARMACEUTICALS MANUFACTURING (US) 1999-11-09 US disclosed
EP-0911039-A2 Drug-resin complexes stabilized by chelating agents Medeva Pharmaceutical Manufacturing, Inc. (US) 1999-04-28 EP disclosed
WO-1996040084-A1 COMPOSITIONS AND METHODS FOR USE OF PRESSURE SENSITIVE ADHESIVE TRANSDERMAL DEVICES CONTAINING A BIOADHESIVE HUMECTANT NOVEN PHARMACEUTICALS, INC. (US) 1996-12-19 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-20080200376-A1 Compositions and Methods For the Treatment Of Obesity and Sexual Dysfunction MC4R, MC5R, MC3R TAAR1 218/4885SLC6A2 203/4885SLC6A4 284/4885
US-20030235595-A1 Oil-containing, orally administrable pharmaceutical composition for improved delivery of a therapeutic agent LIPA, LIPC, CETP TAAR1 2789/4885SLC6A2 1083/4885SLC6A4 1594/4885
US-20050272810-A1 Compositions comprising nebivolol ADRB1, ADRB3, ADRB2 TAAR1 1532/4885SLC6A2 217/4885SLC6A4 456/4885

“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.