SCHEMBL220360

SCHEMBL220360

Clc1ccc(N2CC[N]CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
ADRB1 P08588 1/20 0.57
HTR3A P46098 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CHIA Q9BZP6 1/20 0.48
LTA4H P09960 2/20 0.47
DRD4 P21917 1/20 0.47
AKR1C3 P42330 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2093938 0.92 HTR3E (0.50) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL29998630 0.83 HTR3E (0.70) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL870704 0.83 HTR3E (0.70) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL24103508 0.78 SIGMAR1 (0.64) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL1822749 0.78 HTR3E (0.64) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL2835955 0.77 ADRB1 (0.57) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL662317 0.77 MAPT (0.52) MEN1KMT2ADRD4ALDH1A1GAA
SCHEMBL3183333 0.77 AKR1C3 (0.44) MEN1KMT2AAKR1C3ALDH1A1GAA
SCHEMBL7513534 0.77 LTA4H (0.47) ADRB1MEN1KMT2ALTA4HDRD4
SCHEMBL216663 0.77 ALDH1A1 (0.57) MEN1KMT2AALDH1A1GAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986271-A Cell cycle regulator, and pharmaceutical preparation and application thereof 贵州大学 2024-05-07 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO 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
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders ASTRAZENECA AB (SE) 2008-11-13 US claimed
EP-1912974-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2008-04-23 EP claimed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
EP-0174242-B1 1-(AMINO-PHENYL)-2-AMINO PROPANON DERIVATIVES, THEIR USE IN THERAPY AND PROCESS FOR THEIR PREPARATION LABORATOIRE L. LAFON Société anonyme dite: (FR) 1988-01-13 EP claimed
EP-0138714-B1 1-(ACETYLAMINOPHENYL)-2-AMINO-PROPANONE DERIVATIVES, THEIR THERAPEUTICAL USE AND PROCESS FOR THEIR PREPARATION LABORATOIRE L. LAFON Société anonyme dite: (FR) 1987-05-20 EP claimed
EP-0174242-A2 1-(Amino-phenyl)-2-amino propanon derivatives, their use in therapy and process for their preparation LABORATOIRE L. LAFON Société anonyme dite: (FR) 1986-03-12 EP claimed
US-4556656-A HYPOTENSIVE, ANTIPSYCHOTIC, DIABETIC, AND ANALGESIC AGENTS THE UPJOHN COMPANY (US) 1985-12-03 US claimed
EP-0138714-A2 1-(Acetylaminophenyl)-2-amino-propanone derivatives, their therapeutical use and process for their preparation LABORATOIRE L. LAFON Société anonyme dite: (FR) 1985-04-24 EP claimed
US-4421927-A SKIN DISORDERS SOCIETE DE RECHERCHES INDUSTRIELLES (S.O.R.I.) (FR) 1983-12-20 US claimed
EP-0051514-B1 CINNAMOYL-CINNAMIC ACID DERIVATIVE, ITS PREPARATION AND ITS USE AS A THERAPEUTIC AGENT SOCIETE DE RECHERCHES INDUSTRIELLES S.O.R.I. Société anonyme dite: (FR) 1983-11-23 EP claimed
US-4390697-A Process for the preparation of triazoloquinazolinones ROUSSEL UCLAF (FR) 1983-06-28 US claimed
US-4350695-A Antihistaminic and bronchospasmolytic triazoloquinazolinones ROUSSEL UCLAF (FR) 1982-09-21 US claimed
US-3959281-A CORONARY DILATORS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-25 US 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 (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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R HTR3E 804/4885HTR3B 835/4885ADRB1 136/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 HTR3E 4713/4885HTR3B 4307/4885ADRB1 1348/4885
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP HTR3E 4136/4885HTR3B 3565/4885ADRB1 4294/4885

“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.