SCHEMBL2229948

SCHEMBL2229948

CN1CCCC(COc2cccc(N)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
CHRNB4 P30926 3/20 0.51
CHRNA3 P32297 3/20 0.51
CHRNB2 P17787 3/20 0.51
CHRNB1 P11230 1/20 0.51
CHRNB3 Q05901 1/20 0.51
HRH3 Q9Y5N1 1/20 0.48
CHRNA4 P43681 2/20 0.47
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
SRC P12931 1/20 0.46

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
SCHEMBL14578275 0.86 CHRNB4 (0.57) MAOAMAOBCHRNB4CHRNA3CHRNB2
SCHEMBL15075234 0.85 MAOA (0.56) MAOAMAOBCHRNB4CHRNA3CHRNB2
SCHEMBL2227823 0.85 TP53 (0.50) MAOAMAOBCHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL7946319 0.84 MAOA (0.57) MAOAMAOBCHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL3255185 0.83 MAOA (0.50) MAOAMAOBCHRNB4CHRNA3CHRNB2
SCHEMBL3184573 0.83 MAOA (0.53) MAOAMAOBCHRNB4CHRNA3CHRNB2
SCHEMBL10199163 0.83 CARM1 (0.54) MAOAMAOBCHRNB4CHRNA3CHRNB2
SCHEMBL13185263 0.83 KDM4E (0.54) MAOAMAOBCHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL7068211 0.82 MAOA (0.54) MAOAMAOBHRH3SRC
SCHEMBL25060110 0.82 MAOA (0.50) MAOAMAOBCHRNB4CHRNA3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189059-B1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2023-02-22 EP disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 US disclosed
US-10183952-B2 Thienopyrroles as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2019-01-22 US disclosed
EP-2519235-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2018-11-21 EP disclosed
EP-2361248-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2018-09-19 EP disclosed
EP-2519235-A1 HETEROARYL COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-11-07 EP disclosed
EP-2361248-A1 HETEROARYL COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2011-08-31 EP disclosed
WO-2011090760-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-07-28 WO disclosed
WO-2011090760-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-07-28 WO disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 WO disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 WO disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 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 (8 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 MAOA 331/4885MAOB 230/4885CHRNB4 3885/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAOA 331/4885MAOB 230/4885CHRNB4 3885/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK MAOA 3352/4885MAOB 2519/4885CHRNB4 4647/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAOA 331/4885MAOB 230/4885CHRNB4 3885/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 MAOA 2683/4885MAOB 2136/4885CHRNB4 4496/4885
US-10183952-B2 Thienopyrroles as histone demethylase inhibitors KDM1A, KDM1B, KDM3A MAOA 2008/4885MAOB 1546/4885CHRNB4 4259/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAOA 331/4885MAOB 230/4885CHRNB4 3885/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK MAOA 3352/4885MAOB 2519/4885CHRNB4 4647/4885

“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.