SCHEMBL5235313

SCHEMBL5235313

Cc1ccc(N2CCCNCC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 2/20 0.58
▸ HTR1A P08908 2/20 0.51
▸ HTR1D P28221 2/20 0.51
▸ HTR2A P28223 2/20 0.51
▸ HTR7 P34969 2/20 0.51
▸ HTR2B P41595 2/20 0.51
▸ HTR3A P46098 2/20 0.51
▸ HTR6 P50406 2/20 0.51
▸ HTR1B P28222 1/20 0.51
▸ CHRNB2 P17787 7/20 0.48
▸ CHRNA4 P43681 7/20 0.48
▸ PLD1 Q13393 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47

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
SCHEMBL29902963 0.93 BPTF (0.64) BPTFHTR1AHTR1DHTR2AHTR7
SCHEMBL82373 0.93 BPTF (0.64) BPTFHTR1AHTR1DHTR2AHTR7
Hydrochloric Acid SCHEMBL29903032 0.92 BPTF (0.62) BPTFHTR1AHTR1DHTR2AHTR7
Hydrochloric Acid SCHEMBL20339255 0.92 BPTF (0.62) BPTFHTR1AHTR1DHTR2AHTR7
SCHEMBL806544 0.84 CNR2 (0.59) BPTFHTR1AHTR2AHTR7CNR2
SCHEMBL31415358 0.84 CNR2 (0.59) BPTFHTR1AHTR2AHTR7CNR2
SCHEMBL11988476 0.84 GRIN2D (0.56) BPTFHTR1AHTR2AHTR7CNR2
SCHEMBL1108644 0.83 CNR2 (0.62) HTR1AHTR2AHTR7CNR2GRIN2D
SCHEMBL82447 0.83 CNR2 (0.62) HTR1AHTR2AHTR7CNR2GRIN2D
SCHEMBL18768735 0.81 CHRNB2 (0.51) BPTFHTR2ACHRNB2CHRNA4PLD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357187-A1 Inhibitors of Dihydroceramide Desaturase For Treating Disease CENTAURUS THERAPEUTICS 2023-11-09 — — US disclosed
US-20230357187-A1 Inhibitors of Dihydroceramide Desaturase For Treating Disease CENTAURUS THERAPEUTICS 2023-11-09 — — US disclosed
EP-3419972-B1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2023-07-26 — — EP disclosed
EP-4201936-A1 HETEROAROMATIC RING COMPOUND AS RET KINASE INHIBITOR, AND PREPARATION AND USE THEREOF Jiangsu Chia Tai Fenghai Pharmaceutical Co., Ltd. (CN) 2023-06-28 — — EP disclosed
US-20220348577-A1 CXCR4 Receptor Antagonists PROXIMAGEN LLC (US) 2022-11-03 — — US disclosed
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 — — US disclosed
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 — — US disclosed
US-10155761-B2 CXCR4 receptor antagonists PROXIMAGEN, LLC (US) 2018-12-18 — — US disclosed
EP-2927224-B1 Receptor antagonists PROXIMAGEN LTD (GB) 2018-10-03 — — EP disclosed
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 — — EP disclosed
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES PGXHEALTH, LLC (US) 2010-10-28 — — US disclosed
US-7732455-B2 Substituted 8-heteroaryl xanthines PGX HEALTH, LLC (US) 2010-06-08 — — US disclosed
US-7732455-B2 Substituted 8-heteroaryl xanthines PGX HEALTH, LLC (US) 2010-06-08 — — US disclosed
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ALLERGAN SALES, LLC 2008-08-21 — — US disclosed
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ALLERGAN SALES, LLC 2008-08-21 — — US disclosed
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 — — US disclosed
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 — — US disclosed
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 — — US disclosed
US-20070066631-A1 Pyrazolyl substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-03-22 — — US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 — — 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 (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-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 BPTF 4147/4885HTR1A 67/4885HTR1D 119/4885
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ADORA2B, ADORA2A, ADORA3 BPTF 3701/4885HTR1A 46/4885HTR1D 83/4885
US-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 BPTF 2521/4885HTR1A 388/4885HTR1D 332/4885
US-10155761-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 BPTF 2521/4885HTR1A 388/4885HTR1D 332/4885
US-20230357187-A1 Inhibitors of Dihydroceramide Desaturase For Treating Disease CERS2, SMPD1, ASAH1 BPTF 4010/4885HTR1A 2226/4885HTR1D 2299/4885
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES ADORA2B, ADORA2A, ADORA3 BPTF 3701/4885HTR1A 46/4885HTR1D 83/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 BPTF 2521/4885HTR1A 388/4885HTR1D 332/4885
US-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 BPTF 1207/4885HTR1A 3061/4885HTR1D 1847/4885

“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.

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