SCHEMBL874609

SCHEMBL874609

CCc1nc2ccccc2c(=O)n1CCN1CCN(c2ccccc2OC)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 5/20 0.69
L3MBTL1 Q9Y468 1/20 0.61
DRD2 P14416 2/20 0.61
DRD3 P35462 2/20 0.61
ADRA2A P08913 2/20 0.61
ADRA2B P18089 2/20 0.61
HTR1A P08908 3/20 0.59
HTR7 P34969 5/20 0.59
PARP1 P09874 1/20 0.57
ADRA1D P25100 3/20 0.56
ADRA1A P35348 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
ADRA2C P18825 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
GLA P06280 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
SCHEMBL874621 0.91 HTR7 (0.70) ADRA1BHTR1AHTR7
SCHEMBL15105695 0.86 HTR7 (0.55) ADRA1BDRD2HTR1AHTR7ADRA1D
SCHEMBL15105965 0.84 HTR7 (0.59) ADRA1BDRD2HTR1AHTR7ALDH1A1
SCHEMBL16144798 0.83 DRD4 (0.55) ADRA1BL3MBTL1DRD2HTR1AHTR7
SCHEMBL875129 0.78 HTR1A (0.88) ADRA1BDRD2DRD3HTR1AHTR7
SCHEMBL10833093 0.77 ALDH1A1 (0.81) ADRA1BDRD2DRD3ADRA2AADRA2B
SCHEMBL9615102 0.76 ADRA2A (1.00) ADRA1BDRD2DRD3ADRA2AADRA2B
Hydrochloric Acid SCHEMBL29468639 0.75 ADRA2A (0.98) ADRA1BDRD2DRD3ADRA2AADRA2B
Hydrochloric Acid SCHEMBL3624263 0.75 ADRA2A (0.98) ADRA1BDRD2DRD3ADRA2AADRA2B
SCHEMBL874587 0.75 DRD2 (0.60) DRD2DRD3ADRA2AHTR1AHTR7

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169218-B2 Compounds and pharmaceutical compositions for treating disorders associated with the 5-HT1A and 5-HT2A receptors ACHE LABORATORIOS FARMACEUTICOS S.A. (BR) 2015-10-27 US claimed
EP-2619187-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS ACHÉ LABORATÓRIOS FARMAC UTICOS S A (BR) 2015-03-04 EP claimed
US-20140336199-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors ACHE LABORATORIOS FARMACEUTICOS S.A., ATC Trustees Abbot Building, 2nd FLoor, Road Town (BR) 2014-11-13 US claimed
US-20140303179-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors ACHÉ INTERNATIONAL (BVI) LTD. (VG) 2014-10-09 US claimed
US-20210338674-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS ACHE LABORATORIOS FARMACEUTICOS SA (BR) 2021-11-04 US disclosed
US-9326984-B2 Compounds and pharmaceutical compositions for treating disorders associated with the 5-HT1A and 5-HT2A receptors ACHE LABORATORIOS FARMACEUTICOS S.A. (BR) 2016-05-03 US disclosed
US-20160008360-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS ACHE LAB FARMACEUTICOS SA (BR) 2016-01-14 US disclosed
US-9169218-B2 Compounds and pharmaceutical compositions for treating disorders associated with the 5-HT1A and 5-HT2A receptors ACHE LABORATORIOS FARMACEUTICOS S.A. (BR) 2015-10-27 US disclosed
EP-2619187-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS ACHÉ LABORATÓRIOS FARMAC UTICOS S A (BR) 2015-03-04 EP disclosed
US-20140336199-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors ACHE LABORATORIOS FARMACEUTICOS S.A., ATC Trustees Abbot Building, 2nd FLoor, Road Town (BR) 2014-11-13 US disclosed
US-20140303179-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors ACHÉ INTERNATIONAL (BVI) LTD. (VG) 2014-10-09 US disclosed
US-8735578-B2 Compounds and pharmaceutical compositions for treating disorders associated with the 5-HT1A and 5-HT2A receptors ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. (BR) 2014-05-27 US disclosed
EP-2619187-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS Aché Laboratórios Farmacêuticos S.A. (BR) 2013-07-31 EP disclosed
US-20130184286-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS ACHÉ INTERNATIONAL (BVI) LTD. (VG) 2013-07-18 US disclosed
WO-2012037634-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. (BR) 2012-03-29 WO 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 (5 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-20210338674-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS HTR2A, HTR5A, HTR2C ADRA1B 63/4885L3MBTL1 4770/4885DRD2 20/4885
US-20160008360-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS HTR2A, HTR5A, HTR2C ADRA1B 64/4885L3MBTL1 4763/4885DRD2 20/4885
US-20140303179-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors HTR5A, HTR2A, HTR1A ADRA1B 62/4885L3MBTL1 4853/4885DRD2 22/4885
US-20140336199-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors HTR5A, HTR2A, HTR2C ADRA1B 62/4885L3MBTL1 4860/4885DRD2 22/4885
US-20130184286-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS HTR5A, HTR2A, HTR2C ADRA1B 58/4885L3MBTL1 4857/4885DRD2 22/4885

“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.