SCHEMBL144446

SCHEMBL144446

CC(N)C=Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.55
MAOB P27338 3/20 0.46
RELA Q04206 1/20 0.45
CYP19A1 P11511 2/20 0.44
MAOA P21397 2/20 0.44
CYP1A2 P05177 1/20 0.44
AHR P35869 1/20 0.42
CHAT P28329 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPA1 O75762 1/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL144445 1.00 HTR2A (0.55) HTR2AMAOBRELACYP19A1MAOA
SCHEMBL7296999 1.00 HTR2A (0.55) HTR2AMAOBRELACYP19A1MAOA
SCHEMBL19586405 1.00 HTR2A (0.55) HTR2AMAOBRELACYP19A1MAOA
SCHEMBL28993553 0.80 MAOB (0.50) HTR2AMAOBCYP19A1MAOACYP1A2
SCHEMBL7568407 0.80 CHAT (0.50) HTR2AMAOBRELACYP19A1MAOA
SCHEMBL6844031 0.80 MAOB (0.50) HTR2AMAOBRELACYP1A2AHR
SCHEMBL7568402 0.80 CHAT (0.50) HTR2AMAOBRELACYP19A1MAOA
SCHEMBL9960125 0.80 MAOB (0.50) HTR2AMAOBCYP19A1MAOACYP1A2
SCHEMBL56244 0.80 MAOB (0.50) HTR2AMAOBRELACYP1A2AHR
SCHEMBL8784150 0.78 TLR4 (0.51) MAOBCYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017096315-A1 TRIAZOLE DAGL(α) INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2017-06-08 WO disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
EP-2686336-A1 N-CARBOXYALKYL-AURISTATINS AND USE THEREOF Seattle Genetics, Inc. (US) 2014-01-22 EP disclosed
EP-2595483-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2013-05-29 EP disclosed
US-8399594-B2 Blocked-isocyanate silicone resins DOW CORNING CORPORATION (US) 2013-03-19 US disclosed
WO-2012123423-A1 N-CARBOXYALKYL-AURISTATINS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 WO disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
WO-2012012314-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed
CN-101611098-B Blocked isocyanate silicone resins DOW CORNING INC 2011-10-26 CN disclosed
US-20100093902-A1 Blocked-Isocyanate Silicone Resins DOW CORNING CORPORATION 2010-04-15 US disclosed
CN-101611098-A Blocked isocyanate silicone resins DOW CORNING CORPORATRION (US) 2009-12-23 CN disclosed
US-20070167587-A1 Process for producing polymer with functional end KURARAY CO., LTD. (JP) 2007-07-19 US disclosed
EP-1721912-A1 PROCESS FOR PRODUCING POLYMER WITH FUNCTIONAL END KURARAY CO., LTD. (JP) 2006-11-15 EP disclosed
EP-1340081-A4 COMPOSITION AND METHODS FOR SYNTHESIS OF NOVEL TRACERS FOR DETECTING AMPHETAMINE AND METHAMPHETAMINE IN SAMPLES LIFEPOINT INC (US) 2005-08-03 EP disclosed
EP-1340081-A2 COMPOSITION AND METHODS FOR SYNTHESIS OF NOVEL TRACERS FOR DETECTING AMPHETAMINE AND METHAMPHETAMINE IN SAMPLES Lifepoint, Inc. (US) 2003-09-03 EP disclosed
US-6472228-B2 SYNTHETIC TRACER FOR USE IN DRUG SCREENING LIFEPOINT, INC. 2002-10-29 US disclosed
WO-2002057739-A2 COMPOSITION AND METHODS FOR SYNTHESIS OF NOVEL TRACERS FOR DETECTING AMPHETAMINE AND METHAMPHETAMINE IN SAMPLES LIFEPOINT, INC. (US) 2002-07-25 WO disclosed
US-20020090661-A1 Composition and methods for synthesis of novel tracers for detecting amphetamine and methamphetamine in samples GENERAL CONFERENCE CORPORATION OF SEVENTH-DAY ADVENTISTS 2002-07-11 US disclosed
US-4994569-A Cholecystokinin antagonists RHONE-POULENC SANTE (FR) 1991-02-19 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 (2 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-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 HTR2A 2926/4885MAOB 737/4885RELA 2567/4885
US-20020090661-A1 Composition and methods for synthesis of novel tracers for detecting amphetamine and methamphetamine in samples NEFM, OPRM1, TAAR5 HTR2A 734/4885MAOB 88/4885RELA 4838/4885

“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.