SCHEMBL3312236

SCHEMBL3312236

COC(=O)C1CCCc2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
ADORA2A P29274 1/20 0.44
P2RX7 Q99572 3/20 0.40
CXCR4 P61073 6/20 0.38
CYP2D6 P10635 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL30558705 1.00 HDAC1 (0.46) HDAC1HDAC6ADORA2AP2RX7CXCR4
SCHEMBL1198594 0.91 HDAC1 (0.39) HDAC1HDAC6ADORA2AP2RX7
SCHEMBL29560239 0.91 HDAC1 (0.39) HDAC1HDAC6ADORA2AP2RX7
SCHEMBL12185906 0.85 HDAC1 (0.43) HDAC1HDAC6CXCR4MAPK1ALDH1A1
SCHEMBL29640806 0.84 HDAC1 (0.45) HDAC1HDAC6ADORA2AP2RX7CXCR4
SCHEMBL2688968 0.84 HDAC1 (0.45) HDAC1HDAC6ADORA2AP2RX7CXCR4
SCHEMBL3147432 0.82 P2RX7 (0.38) HDAC1HDAC6ADORA2AP2RX7ALDH1A1
SCHEMBL2597816 0.82 HDAC1 (0.46) HDAC1HDAC6ADORA2AP2RX7CXCR4
SCHEMBL27766407 0.81 HDAC1 (0.44) HDAC1HDAC6ADORA2AP2RX7CXCR4
SCHEMBL2305432 0.81 HDAC1 (0.45) HDAC1HDAC6ADORA2AP2RX7CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051360-A1 SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2025-02-13 US disclosed
WO-2023116748-A1 SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF 广东东阳光药业有限公司 2023-06-29 WO disclosed
CN-116332961-A Substituted heteroaryl compounds, compositions and uses thereof 广东东阳光药业有限公司 2023-06-27 CN disclosed
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2010-04-29 US disclosed
US-7629337-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2009-12-08 US disclosed
CN-101353324-A Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2009-01-28 CN disclosed
US-7452994-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2008-11-18 US disclosed
US-7452994-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2008-11-18 US disclosed
US-7452994-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2008-11-18 US disclosed
CN-100412062-C Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2008-08-20 CN disclosed
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2005-04-14 US disclosed
EP-1487795-A4 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC (CA) 2005-02-09 EP disclosed
EP-1487795-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2004-12-22 EP disclosed
US-6825351-B2 SELECTIVE HYDROGENATION OF AMINO-SUBSTITUTED FUSED BICYCLIC AROMATIC RING SYSTEM, PREPARATION OF RACEMIC AMINO SUBSTITUTED FUSED BICYCLIC RING SYSTEM VIA NITROSATION, ENZYMATIC RESOLUTION OF RACEMIC MIXTURE TO PRODUCE (R)- AND (S)-FORMS ANORMED, INC. (CA) 2004-11-30 US disclosed
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-25 US disclosed
US-6750348-B1 PROTECTIVE EFFECTS AGAINST INFECTION BY HIV THROUGH BINDING TO CHEMOKINE RECEPTORS, INCLUDING CXCR4 AND CCR5;N-(2-PYRIDINYLMETHYL)-N'-(2-(PHENYLUREIDO)ETHYL)-N'-(5,6,7,8-TETRAHYDRO-8-QUINOLINYL)-1,4-BENZENEDIMETHANAMINE ANORMED, INC. (CA) 2004-06-15 US disclosed
US-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED CORPORATION (CA) 2003-06-19 US disclosed
WO-2003022785-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2003-03-20 WO disclosed
EP-1163238-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-12-19 EP disclosed
WO-2000056729-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2000-09-28 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-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 HDAC1 2323/4885HDAC6 4303/4885ADORA2A 832/4885
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CXCR4, CCR5, CXCR3 HDAC1 836/4885HDAC6 1168/4885ADORA2A 230/4885
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 HDAC1 2323/4885HDAC6 4303/4885ADORA2A 832/4885
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 HDAC1 1116/4885HDAC6 1089/4885ADORA2A 153/4885
US-20250051360-A1 SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF TYK2, JAK2, JAK1 HDAC1 1380/4885HDAC6 711/4885ADORA2A 3741/4885

“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.