SCHEMBL4292159

SCHEMBL4292159

c1ccc(CN2CCC3(CNC3)C2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.76
CYP3A4 P08684 7/20 0.76
TSHR P16473 5/20 0.76
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
ALDH1A1 P00352 1/20 0.64
HIF1A Q16665 1/20 0.64
CYP1A2 P05177 3/20 0.53
USP2 O75604 2/20 0.52
SIGMAR1 Q99720 2/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL2306006 0.90 TSHR (0.73) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL1426593 0.89 CYP2D6 (0.84) CYP2D6CYP3A4TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL2379330 0.88 TSHR (0.71) CYP2D6CYP3A4TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL3013775 0.88 CYP2D6 (0.82) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL5243003 0.88 CYP2D6 (0.67) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL15985246 0.86 CYP2D6 (0.60) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL1732446 0.86 CYP2D6 (0.65) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL4589959 0.85 CYP2D6 (0.83) CYP2D6CYP3A4TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL31645775 0.84 CYP2D6 (0.59) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL323730 0.84 CYP2D6 (0.76) CYP2D6CYP3A4TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026479-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-12-06 US disclosed
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-10-22 US disclosed
US-20200048267-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 US disclosed
WO-2019153080-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-08-15 WO disclosed
WO-2018141984-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2018-08-09 WO disclosed
US-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
EP-1987020-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093364-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed
EP-0417631-A2 Condensed diazepinones, process for their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1991-03-20 EP 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 (4 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-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction BCL6, BCL6B, BCL3 CYP2D6 3305/4885CYP3A4 3509/4885TSHR 3920/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 CYP2D6 3889/4885CYP3A4 4084/4885TSHR 3819/4885
US-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN CYP2D6 4092/4885CYP3A4 4278/4885TSHR 4632/4885
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 CYP2D6 68/4885CYP3A4 80/4885TSHR 1077/4885

“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.