SCHEMBL1037058

SCHEMBL1037058

c1csc(CN2CC[N]CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.66
DRD4 P21917 10/20 0.58
DRD3 P35462 7/20 0.58
DRD2 P14416 5/20 0.54
DRD5 P21918 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
DRD1 P21728 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 2/20 0.47
SIGMAR1 Q99720 1/20 0.46
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
GBA1 P04062 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 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
SCHEMBL7050984 0.82 HTT (0.72) HTTDRD4DRD3DRD2DRD5
SCHEMBL43459 0.82 HRH3 (0.48) HTTDRD4DRD3ALDH1A1SIGMAR1
SCHEMBL2975841 0.81 HTT (0.70) HTTDRD4DRD3DRD2DRD5
SCHEMBL8168957 0.81 HTT (0.70) HTTDRD4DRD3DRD2DRD5
SCHEMBL28588828 0.79 HTT (0.68) HTTDRD4DRD3DRD2DRD5
SCHEMBL7654044 0.79 HTT (0.68) HTTDRD4DRD3DRD2DRD5
SCHEMBL6555514 0.79 HTT (1.00) HTTDRD4DRD3DRD2DRD5
SCHEMBL14662685 0.79 HTT (0.68) HTTDRD4DRD3DRD2DRD5
SCHEMBL11377879 0.78 HTT (0.66) HTTDRD4DRD3DRD2DRD5
SCHEMBL2026093 0.78 HTT (0.66) HTTDRD4DRD3DRD2DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831173-B1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2011-01-26 EP claimed
EP-1071680-B1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-07-23 EP claimed
EP-1831173-A1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-12 EP claimed
US-20060194837-A1 Tetrahydroisoquinoline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 US claimed
WO-2006066197-A1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-22 WO claimed
EP-1071680-A4 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2003-03-05 EP claimed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US claimed
EP-1071680-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-31 EP claimed
WO-1999052898-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-21 WO claimed
EP-1831173-B1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2011-01-26 EP disclosed
US-20100004241-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US disclosed
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US disclosed
US-20080306085-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES APODACA RICHARD 2008-12-11 US disclosed
US-7429586-B2 Non-imidazole aryloxyalkylamines ORTHO-MCNEIL PHARMACEUTICLAS, INC. (US) 2008-09-30 US disclosed
EP-1071680-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-31 EP disclosed
WO-1999052898-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-21 WO disclosed
US-5358949-A Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
US-5204365-A Absence of ulverogenic side effects SOCIEDAD ESPANOLA DE ESPECIALIDADES FARMACO-TERAPEUTICAS S.A. (ES) 1993-04-20 US disclosed
EP-0458160-A2 Substituted diphenylmethane derivatives as analgesic or anti-inflammatory agents SOCIEDAD ESPANOLA DE ESPECIALIDADES FARMACO-TERAPEUTICAS, S.A. (ES) 1991-11-27 EP disclosed
US-4128643-A 4-Quinazolinyl-guanidines HOECHST AKTIENGESELLSCHAFT (DE) 1978-12-05 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 (4 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-20060194837-A1 Tetrahydroisoquinoline compounds HRH3, HRH4, HRH1 HTT 81/4885DRD4 440/4885DRD3 367/4885
US-20100004241-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES HNMT, HRH2, HRH3 HTT 1332/4885DRD4 4093/4885DRD3 3932/4885
US-20080306085-A1 NON-IMIDAZOLE ARYLOXYALKYLAMINES HNMT, HRH2, HRH3 HTT 1332/4885DRD4 4093/4885DRD3 3932/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HTT 60/4885DRD4 293/4885DRD3 469/4885

“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.