SCHEMBL1738849

SCHEMBL1738849

COc1ccc2cccc(N3CCNCC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.63
ADRB1 P08588 2/20 0.61
HTR1A P08908 7/20 0.60
HTR3A P46098 6/20 0.60
HTR6 P50406 4/20 0.60
HTR1D P28221 3/20 0.60
HTR1B P28222 3/20 0.60
HTR3E A5X5Y0 3/20 0.60
HTR3B O95264 3/20 0.60
HTR3D Q70Z44 3/20 0.60
HTR3C Q8WXA8 3/20 0.60
NCF1 P14598 2/20 0.60
HTR7 P34969 2/20 0.60
SIGMAR1 Q99720 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
HTR2A P28223 1/20 0.60
MTOR P42345 1/20 0.60

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
Hydrochloric Acid SCHEMBL5253513 0.99 HTR5A (0.62) HTR5AADRB1HTR1AHTR3AHTR6
SCHEMBL5366747 0.89 HTR1A (0.60) HTR5AADRB1HTR1AHTR3AHTR6
Hydrochloric Acid SCHEMBL9639708 0.87 LMNA (0.61) HTR5AADRB1HTR1AHTR3AHTR6
SCHEMBL6000211 0.84 HTR1A (0.75) HTR5AADRB1HTR1AHTR6HTR1D
SCHEMBL27656331 0.80 HTR5A (0.60) HTR5AHTR1AHTR3AHTR6HTR1D
SCHEMBL8952482 0.79 SLC6A2 (0.56) HTR5AHTR1AHTR3AHTR6HTR1D
SCHEMBL6959807 0.79 HTR6 (0.72) HTR5AADRB1HTR1AHTR3AHTR6
SCHEMBL5252903 0.78 HTR5A (0.68) HTR5AADRB1HTR1AHTR3AHTR6
SCHEMBL4546514 0.78 HTR5A (1.00) HTR5AADRB1HTR1AHTR3AHTR6
SCHEMBL5372270 0.78 HTR5A (0.68) HTR5AADRB1HTR1AHTR3AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4963680-A INTERMEDIATES FOR THERAPEUTIC DRUGS SYNTHELABO (FR) 1990-10-16 US claimed
JP-2073075-A None JP disclosed
EP-1727794-B1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PROD INC (US) 2011-11-16 EP disclosed
US-20110263484-A1 SINGLE CHAIN FC TYPE III INTERFERONS AND METHODS OF USING SAME ZYMOGENETICS, INC. 2011-10-27 US disclosed
US-20090286804-A1 METABOLITES OF 1-[6-(1-ETHYL-1-HYDROXY-PROPYL)-PYRIDIN-3-YL]-3-[2-(4-METHYL-PIPERAZIN-1-YL)-BENZYL]-PYRROLIDIN-2-ONE AS SERATONIN RECEPTOR ANTAGONISTS PFIZER INC 2009-11-19 US disclosed
US-7479559-B2 3-[-2-(Piperazin-1-yl)benzyl]pyrrolidin-2-one derivatives; antidepressants, anxiolytic agents; obsessive compulsive disorder, psychological disorders, phobias; 5-HT1 agonist or antagonists; side effect reduction, in particular cardiac QTc prolongation; hydrogenation PFIZER INC. (US) 2009-01-20 US disclosed
WO-2008068614-A2 STEREOSELECTIVE SYNTHESIS OF 1-[6-ETHYL-1,2-DIHYDROXY-PROPYL)-PYRIDIN-3-YL]-3-[2-(4-METHYL-PIPERAZIN-1-YL)-BENZYL]-PYRROLIDIN-2-ONE PFIZER PRODUCTS INC. (US) 2008-06-12 WO disclosed
EP-1891041-A1 METABOLITES OF 1- [-6- (1-ETHYL-l-HYDROXY-PROPYL) -PYRIDIN-3-YL]-3- [2- (4-METHYL-PIPERAZIN-I-YL) -BENZYL]-PYRR0LIDIN-2-0NE AS SERATONIN RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-02-27 EP disclosed
WO-2007057742-A2 NOVEL PIPERAZINONE DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-05-24 WO disclosed
WO-2007026224-A2 5-HT1B ANTAGONIST COMPOSITION FOR DEPRESSION, ANXIETY AND COGNITION PFIZER PRODUCTS INC. (US) 2007-03-08 WO disclosed
US-5162324-A Naphyl piperazines useful as 5-HT1A receptor ligands ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed
US-5162321-A 1-naphthyl piperazines useful as 5-HT1A receptor ligands ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed
US-5143916-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1992-09-01 US disclosed
EP-0483459-A1 Process for preparation of phosphatidylcholine derivatives A. Nattermann & Cie. GmbH (DE) 1992-05-06 EP disclosed
EP-0434561-A2 1-Naphthyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-06-26 EP disclosed
US-5010079-A Treatment of psychological disorders SYNTHELABO (FR) 1991-04-23 US disclosed
US-4983607-A ANTISEROTONINERGIC ACTIVITY SYNTHELABO (FR) 1991-01-08 US disclosed
US-4963680-A INTERMEDIATES FOR THERAPEUTIC DRUGS SYNTHELABO (FR) 1990-10-16 US disclosed
US-4950670-A Psychological and cardiovascular disorders SYNTHELABO (FR) 1990-08-21 US disclosed
JP-H0273075-A PIPERAZINE DERIVATIVE AND ITS PREPARATION SYNTHELABO SA 1990-03-13 JP 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-20090286804-A1 METABOLITES OF 1-[6-(1-ETHYL-1-HYDROXY-PROPYL)-PYRIDIN-3-YL]-3-[2-(4-METHYL-PIPERAZIN-1-YL)-BENZYL]-PYRROLIDIN-2-ONE AS SERATONIN RECEPTOR ANTAGONISTS NTSR1, NTSR2, NPSR1 HTR5A 40/4885ADRB1 95/4885HTR1A 9/4885

“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.