SCHEMBL746343

SCHEMBL746343

Fc1cccc(F)c1N1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
HTR3A P46098 5/20 0.48
ADRB1 P08588 5/20 0.48
HTR3E A5X5Y0 4/20 0.48
HTR3B O95264 4/20 0.48
HTR3D Q70Z44 4/20 0.48
HTR3C Q8WXA8 4/20 0.48
SIGMAR1 Q99720 4/20 0.48
HTR2C P28335 5/20 0.47
HTR1A P08908 6/20 0.46
HTR7 P34969 4/20 0.46
HTR6 P50406 3/20 0.45
HTR2B P41595 2/20 0.45
HTR1D P28221 2/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44

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
Trifluoroacetic Acid SCHEMBL27996951 0.85 SIGMAR1 (0.42) ALDH1A1LMNAHTR3AADRB1HTR3E
SCHEMBL20141837 0.82 ALDH1A1 (0.49) ALDH1A1LMNAHTR2CHTR6HTR2B
SCHEMBL9523382 0.82 HTR3A (0.57) LMNAHTR3AADRB1HTR3EHTR3B
SCHEMBL31651649 0.82 HTR3A (0.57) LMNAHTR3AADRB1HTR3EHTR3B
SCHEMBL2558987 0.82 ERN1 (0.43) ALDH1A1LMNAHTR3AADRB1HTR3E
SCHEMBL30311470 0.82 ALB (0.47) ALDH1A1LMNAHTR3AADRB1HTR3E
Hydrochloric Acid SCHEMBL29950760 0.81 ALDH1A1 (0.44) ALDH1A1LMNAHTR3AADRB1HTR3E
SCHEMBL3543541 0.81 HTR2C (0.42) ALDH1A1LMNAHTR3AHTR2CHTR1A
SCHEMBL4782133 0.80 MAPT (0.56) ALDH1A1LMNAADRB1HTR1AHTR7
SCHEMBL30407583 0.79 RAB9A (0.42) ALDH1A1LMNAHTR2CHTR2BSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2019-01-15 US disclosed
US-10071095-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2018-09-11 US disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
CN-106986861-A Antiviral compound 艾伯维巴哈马有限公司 2017-07-28 CN disclosed
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-06-15 US disclosed
EP-3166946-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST Pharm Co. Ltd. (KR) 2017-05-17 EP disclosed
US-20160067245-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2016-03-10 US disclosed
WO-2016006975-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2016-01-14 WO disclosed
US-9226930-B2 1,2,4-triazolo [4,3-a] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2016-01-05 US disclosed
WO-2010130424-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US disclosed
US-20040106623-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2004-06-03 US disclosed
US-6706716-B2 NERVOUS SYSTEM DISORDERS; HYPOTENSIVE AGENTS; INCONTINENCE SYNAPTIC PHARMACEUTICAL CORPORATION 2004-03-16 US disclosed
US-20020028760-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof H. LUNDBECK A/S (DK) 2002-03-07 US disclosed
EP-1100794-A1 COMPOUNDS SPECIFIC FOR THE HUMAN $g(a) 1d? ADRENERGIC RECEPTOR AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2001-05-23 EP disclosed
WO-2000004012-A9 COMPOUNDS SPECIFIC FOR THE HUMAN α1d ADRENERGIC RECEPTOR AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2000-10-26 WO disclosed
WO-2000004012-A1 COMPOUNDS SPECIFIC FOR THE HUMAN α1d ADRENERGIC RECEPTOR AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-01-27 WO disclosed
US-4159331-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-06-26 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 (8 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-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ALDH1A1 503/4885LMNA 2327/4885HTR3A 3069/4885
US-20040106623-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof ADRA1D, ADRA1A, ADRB1 ALDH1A1 140/4885LMNA 2110/4885HTR3A 62/4885
US-10071095-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of neurological and psychiatric disorders GRM2, GRM1, GRIA2 ALDH1A1 2051/4885LMNA 4708/4885HTR3A 105/4885
US-20020028760-A1 Compounds specific for the human alpha1d adrenergic receptor and uses thereof ADRA1D, ADRA1A, ADRB1 ALDH1A1 23/4885LMNA 1202/4885HTR3A 131/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C ALDH1A1 1997/4885LMNA 4680/4885HTR3A 94/4885
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof TNKS1BP1, TPI1, TPMT ALDH1A1 1644/4885LMNA 2166/4885HTR3A 4090/4885
US-20160067245-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders GRM2, GRM1, GRIN2C ALDH1A1 1997/4885LMNA 4680/4885HTR3A 94/4885
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TPI1, TBKBP1 ALDH1A1 2275/4885LMNA 2461/4885HTR3A 4306/4885

“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.