SCHEMBL315894

SCHEMBL315894

Fc1cccc(N2CCNCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.68
HTR1A P08908 5/20 0.68
HTR6 P50406 5/20 0.62
ADRB1 P08588 4/20 0.62
HTR3E A5X5Y0 4/20 0.62
HTR3B O95264 4/20 0.62
HTR3A P46098 4/20 0.62
HTR3D Q70Z44 4/20 0.62
HTR3C Q8WXA8 4/20 0.62
SIGMAR1 Q99720 4/20 0.62
HTR2C P28335 4/20 0.62
HTR2A P28223 3/20 0.62
THRB P10828 2/20 0.62
HTR2B P41595 2/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
SLC6A4 P31645 1/20 0.62

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 SCHEMBL11556656 0.98 HTR7 (0.66) HTR7HTR1AHTR6ADRB1HTR3E
Bromide SCHEMBL6774182 0.98 HTR7 (0.66) HTR7HTR1AHTR6ADRB1HTR3E
Hydrochloric Acid SCHEMBL9743614 0.98 HTR7 (0.66) HTR7HTR1AHTR6ADRB1HTR3E
Bromide SCHEMBL27376788 0.96 HTR7 (0.64) HTR7HTR1AHTR6ADRB1HTR3E
Hydrochloric Acid SCHEMBL12817391 0.92 HTR1A (0.59) HTR7HTR1AHTR6ADRB1HTR3E
SCHEMBL20699709 0.86 BPTF (0.54) HTR7HTR1AHTTALDH1A1MAPT
SCHEMBL10373948 0.86 BPTF (0.54) HTR7HTR1AHTTALDH1A1MAPT
SCHEMBL4913199 0.83 HTR7 (0.66) HTR7HTR1AHTR6ADRB1HTR3E
SCHEMBL30167608 0.82 ALDH1A1 (0.52) HTR7HTR1ATP53HTTALDH1A1
SCHEMBL30407553 0.82 BPTF (0.51) HTR7HTR1ATP53HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112661750-B Ketene-bridged quinazolinone thiazole compound and preparation method and application thereof 西南大学 2022-10-21 CN claimed
CN-111944539-B Fluropiperazine-based benzoxazole liquid crystal compound and preparation method thereof 西安瑞联新材料股份有限公司 2021-12-07 CN claimed
CN-111944539-A Fluropiperazine-based benzoxazole liquid crystal compound and preparation method thereof 西安瑞联新材料股份有限公司 2020-11-17 CN claimed
CN-104583217-B Substituted thiophene-fused and furan-fused oxazolopyrimidine-5- (6H) -one compounds 达特神经科学(开曼)有限公司 2017-11-17 CN claimed
EP-2861605-B1 6-Benzyl-6H-thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-one derivatives as phosphodiesterase-1 (PDE-1) inhibitors for the treatment of e.g. neurological, cognitive and cardiovascular disorders DART NEUROSCIENCE (CAYMAN) LTD (KY) 2017-05-03 EP claimed
US-9499562-B2 Substituted thiophene- and furan-fused azolopyrimidine-5-(6H)-one compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2016-11-22 US claimed
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN claimed
US-20160031901-A1 SUBSTITUTED THIOPHENE- AND FURAN-FUSED AZOLOPYRIMIDINE-5-(6H)-ONE COMPOUNDS DART NEUROSCIENCE LLC 2016-02-04 US claimed
CN-104583217-A Substituted thiophene-fused and furan-fused oxazolopyrimidine-5- (6H) -one compounds DART NEUROSCIENCE CAYMAN LTD 2015-04-29 CN claimed
EP-2861605-A1 SUBSTITUTED THIOPHENE- AND FURAN-FUSED AZOLOPYRIMIDINE-5-(6H)-ONE COMPOUNDS Dart Neuroscience (Cayman) Ltd (KY) 2015-04-22 EP claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
WO-2013192225-A1 SUBSTITUTED THIOPHENE- AND FURAN-FUSED AZOLOPYRIMIDINE-5-(6H)-ONE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2013-12-27 WO claimed
CN-102924441-A N-(4-(4-(3-fluorophenyl)piperazin-1-yl)pyrimidin-2-yl)-amide or salts thereof, preparation method and applications UNIV SOUTH CHINA TECH 2013-02-13 CN claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
EP-0539180-A1 Antiviral agents SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-04-28 EP claimed

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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R HTR7 784/4885HTR1A 478/4885HTR6 1450/4885
US-20160031901-A1 SUBSTITUTED THIOPHENE- AND FURAN-FUSED AZOLOPYRIMIDINE-5-(6H)-ONE COMPOUNDS TPMT, PSEN2, GRIN2C HTR7 286/4885HTR1A 179/4885HTR6 13/4885

“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.