SCHEMBL7815883

SCHEMBL7815883

c1ccc2c(N3CCNCC3)csc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.53
HTR1A P08908 3/20 0.53
NCF1 P14598 2/20 0.53
HTR3A P46098 2/20 0.53
HTR2A P28223 2/20 0.53
HTR7 P34969 2/20 0.53
HTR5A P47898 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
MTOR P42345 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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 SCHEMBL29502312 0.98 KDM4E (0.54) HTR6HTR1ANCF1HTR3AHTR2A
Hydrochloric Acid SCHEMBL6220118 0.98 KDM4E (0.54) HTR6HTR1ANCF1HTR3AHTR2A
SCHEMBL27205423 0.79 PRKDC (0.51) NCF1HSD17B10LMNAKDM4EALDH1A1
SCHEMBL294010 0.78 HTR1A (0.56) HTR6HTR1ANCF1HTR3AHTR2A
SCHEMBL23010594 0.78 MAPT (0.58) HTR6HTR1AHTR3AHTR2AHTR7
SCHEMBL4729065 0.78 MAPT (0.58) HTR1AHTR3AHTR7LMNAMAPT
SCHEMBL7828988 0.78 ADRB2 (0.52) HTR6HTR1ANCF1HTR3AHTR2A
SCHEMBL9411192 0.78 LATS1 (0.51) NCF1CHEK1ADRB2
SCHEMBL2966951 0.78 MAPT (0.48) HTR1AHTR3AHTR2AHTR7LMNA
Hydrochloric Acid SCHEMBL294116 0.77 KDM4E (0.57) HTR6HTR1ANCF1HTR3AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6009617-A None JP disclosed
US-7550469-B2 Heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-06-23 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
EP-0732332-B1 Substituted benzothienylpiperazines, their use as medicaments, and processes for their preparation AVENTIS PHARMA INC (US) 2001-12-19 EP disclosed
US-6284775-B1 PSYCHOLOGICAL DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-09-04 US disclosed
US-5801176-A ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. 1998-09-01 US disclosed
US-5622950-A Pyrrolo-pyridine derivatives MERCK, SHARP & DOHME LTD. (GB) 1997-04-22 US disclosed
EP-0570850-B1 Benzo(b)thiophen-3-yl-piperazines, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1996-12-11 EP disclosed
EP-0570850-B1 Benzo(b)thiophen-3-yl-piperazines, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1996-12-11 EP disclosed
US-5576319-A Pyrrolo-pyridine derivatives MERCK, SHARP & DOHME LTD. (GB) 1996-11-19 US disclosed
EP-0625978-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-30 EP disclosed
EP-0623618-A2 Pyrrolo-pyridine derivatives MERCK SHARP & DOHME LTD. (GB) 1994-11-09 EP disclosed
WO-1994020497-A1 PYRROLO-PYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-09-15 WO disclosed
JP-H069617-A BENZO(B)THIOPHEN-3-YL-PIPERAZINE, ITS PRODUCTION AND ITS USE AS MEDICINE HOECHST ROUSSEL PHARMACEUT INC 1994-01-18 JP disclosed
EP-0570850-A1 Benzo(b)thiophen-3-yl-piperazines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-24 EP disclosed
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 WO disclosed
US-5229388-A 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed
US-5136037-A 3-(4-substituted-4-piperazinyl)butyl-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-08-04 US disclosed
US-5037984-A Anticonvulsants; anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 US disclosed
US-4933453-A ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 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 (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-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 HTR6 99/4885HTR1A 52/4885NCF1 3941/4885

“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.