SCHEMBL877826

SCHEMBL877826

C=CCC1CN(c2[c]cccc2)CCN1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.35
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
CTNNB1 P35222 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LTA4H P09960 1/20 0.30

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
SCHEMBL877827 0.77 ADRB1 (0.40) ADRB1
SCHEMBL6573778 0.73 HTR1A (0.51) ADRB1ALDH1A1
SCHEMBL6552760 0.73 HTR3A (0.51) ADRB1
SCHEMBL1255943 0.70 ADRB1 (0.51) ADRB1ALDH1A1SMN1; SMN2
SCHEMBL188699 0.68 ADRB1 (0.50) ADRB1ALDH1A1MAPK1LTA4H
SCHEMBL10773763 0.67 CYP1A2 (0.44) ALDH1A1
SCHEMBL4719111 0.66 ADRB1 (0.42) ADRB1ALDH1A1MAPK1LTA4H
SCHEMBL8961761 0.65 MAPT (0.31) GAASMN1; SMN2
SCHEMBL8457618 0.64 HRH4 (0.40) GAALTA4H
SCHEMBL1450474 0.64 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADRB1 100/4885ALDH1A1 585/4885GAA 1085/4885
US-20160008360-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS HTR2A, HTR5A, HTR2C ADRB1 107/4885ALDH1A1 590/4885GAA 1101/4885
US-20140303179-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors HTR5A, HTR2A, HTR1A ADRB1 94/4885ALDH1A1 430/4885GAA 1689/4885
US-20140336199-A1 Compounds and Pharmaceutical Compositions for Treating Disorders Associated With the 5-HT1A and 5-HT2A Receptors HTR5A, HTR2A, HTR2C ADRB1 92/4885ALDH1A1 458/4885GAA 1464/4885
US-20130184286-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING DISORDERS ASSOCIATED WITH THE 5-HT1A AND 5-HT2A RECEPTORS HTR5A, HTR2A, HTR2C ADRB1 87/4885ALDH1A1 408/4885GAA 1742/4885

“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.