SCHEMBL875058

SCHEMBL875058

O=c1c2ccccc2ncn1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.89

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.89
DRD3 P35462 4/20 0.89
DRD5 P21918 2/20 0.89
HTR7 P34969 8/20 0.73
HTR1A P08908 7/20 0.66
HTR2A P28223 1/20 0.55
HTR6 P50406 1/20 0.55
SIGMAR1 Q99720 1/20 0.54
ABCB11 O95342 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
KCNH2 Q12809 1/20 0.52

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 SCHEMBL16144823 0.99 DRD2 (0.87) DRD2DRD3DRD5HTR7HTR1A
SCHEMBL22001855 0.85 DRD2 (0.86) DRD2DRD3DRD5HTR7HTR1A
SCHEMBL15748095 0.79 DRD2 (0.75) DRD2DRD3DRD5HTR7HTR1A
SCHEMBL874587 0.79 DRD2 (0.60) DRD2DRD3DRD5HTR7HTR1A
SCHEMBL17103164 0.78 DRD2 (0.74) DRD2DRD3DRD5HTR7HTR1A
Hydrochloric Acid SCHEMBL17103181 0.78 DRD2 (0.74) DRD2DRD3DRD5HTR7HTR1A
Hydrochloric Acid SCHEMBL16144830 0.78 DRD2 (0.59) DRD2DRD3DRD5HTR7HTR1A
SCHEMBL14761592 0.77 DRD2 (0.65) DRD2DRD3DRD5HTR7HTR1A
SCHEMBL31094938 0.76 DRD2 (0.63) DRD2DRD3DRD5HTR7HTR1A
SCHEMBL14761748 0.76 DRD2 (0.58) DRD2DRD3DRD5HTR7HTR1A

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-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 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
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 DRD2 20/4885DRD3 56/4885DRD5 38/4885
US-20160008360-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS HTR2A, HTR5A, HTR2C DRD2 20/4885DRD3 56/4885DRD5 42/4885
US-20140303179-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors HTR5A, HTR2A, HTR1A DRD2 22/4885DRD3 54/4885DRD5 33/4885
US-20140336199-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors HTR5A, HTR2A, HTR2C DRD2 22/4885DRD3 55/4885DRD5 39/4885
US-20130184286-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS HTR5A, HTR2A, HTR2C DRD2 22/4885DRD3 56/4885DRD5 39/4885

“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.