SCHEMBL874574

SCHEMBL874574

O=c1c2ccccc2ncn1CCCl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
MAPT P10636 1/20 0.58
HTR1A P08908 1/20 0.56
HTR7 P34969 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 1/20 0.56
POLB P06746 2/20 0.56
MAPK1 P28482 1/20 0.56
THRB P10828 1/20 0.56
STAT3 P40763 1/20 0.55
RAB9A P51151 3/20 0.55
STAT1 P42224 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP3A4 P08684 1/20 0.54
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL30089425 1.00 CYP1A2 (0.59) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL27960293 0.86 SMN1; SMN2 (0.59) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL19049515 0.83 LMNA (0.61) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL875704 0.83 SMN1; SMN2 (0.60) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL30089495 0.83 SMN1; SMN2 (0.60) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL28866778 0.83 CYP2C9 (0.59) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL5748829 0.81 POLB (0.64) CYP1A2CYP2D6CYP2C9CYP2C19HTR1A
SCHEMBL28069319 0.81 CYP1A2 (0.64) CYP1A2CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL16210930 0.80 SMN1; SMN2 (0.64) CYP1A2CYP2D6CYP2C9CYP2C19HTR1A
SCHEMBL29692294 0.80 SMN1; SMN2 (0.64) CYP1A2CYP2D6CYP2C9CYP2C19HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108276352-B Nitrogen-containing heterocyclic compound with nematicidal activity and preparation method and application thereof 华东理工大学 2022-09-20 CN disclosed
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
WO-1993021163-A1 QUINAZOLONES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO S.P.A. (IT) 1993-10-28 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 CYP1A2 219/4885CYP2D6 803/4885CYP2C9 734/4885
US-20160008360-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS HTR2A, HTR5A, HTR2C CYP1A2 228/4885CYP2D6 795/4885CYP2C9 732/4885
US-20140303179-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors HTR5A, HTR2A, HTR1A CYP1A2 120/4885CYP2D6 633/4885CYP2C9 528/4885
US-20140336199-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors HTR5A, HTR2A, HTR2C CYP1A2 141/4885CYP2D6 603/4885CYP2C9 563/4885
US-20130184286-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS HTR5A, HTR2A, HTR2C CYP1A2 122/4885CYP2D6 628/4885CYP2C9 529/4885

“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.