SCHEMBL853671

SCHEMBL853671

OCCCNc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.56
CXCR4 P61073 1/20 0.53
NUDT1 P36639 1/20 0.53
KDM4D Q6B0I6 1/20 0.53
FABP1 P07148 1/20 0.52
FABP6 P51161 1/20 0.52
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
CYP2D6 P10635 1/20 0.49
ITGB3 P05106 2/20 0.48
ITGAV P06756 2/20 0.48
FDPS P14324 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.46
RAD52 P43351 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 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
SCHEMBL30084988 1.00 CYP1A2 (0.58) CYP1A2CYP2C19CXCR4NUDT1KDM4D
SCHEMBL19874499 0.98 CYP1A2 (0.56) CYP1A2CYP2C19CXCR4NUDT1KDM4D
SCHEMBL6302675 0.94 CYP1A2 (0.56) CYP1A2CYP2C19CXCR4NUDT1KDM4D
SCHEMBL6301834 0.93 CYP1A2 (0.54) CYP1A2CYP2C19CXCR4NUDT1KDM4D
SCHEMBL245224 0.88 CYP1A2 (0.61) CYP1A2CYP2C19CXCR4FABP1FABP6
SCHEMBL10861718 0.88 CYP1A2 (0.66) CYP1A2CYP2C19CXCR4FABP1FABP6
Hydrochloric Acid SCHEMBL5175818 0.86 CYP1A2 (0.59) CYP1A2CYP2C19CXCR4FABP1FABP6
Hydrochloric Acid SCHEMBL5175930 0.86 CYP1A2 (0.59) CYP1A2CYP2C19CXCR4FABP1FABP6
SCHEMBL9644591 0.86 CYP1A2 (0.63) CYP1A2CYP2C19CXCR4FABP1FABP6
SCHEMBL10858528 0.86 CYP1A2 (0.63) CYP1A2CYP2C19CXCR4FABP1FABP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220378744-A1 COMPOUNDS FOR TREATING PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) MEDIATED DISEASES OR CONDITIONS MEDIPURE PHARMACEUTICALS INC (CA) 2022-12-01 US disclosed
WO-2022221960-A1 COMPOUNDS FOR TREATING PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) MEDIATED DISEASES OR CONDITIONS Medipure Pharmaceuticals Inc. (CA) 2022-10-27 WO disclosed
WO-2022221960-A1 COMPOUNDS FOR TREATING PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) MEDIATED DISEASES OR CONDITIONS Medipure Pharmaceuticals Inc. (CA) 2022-10-27 WO disclosed
US-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2021-03-11 US disclosed
US-20180244698-A1 AMINE-BORANES BEARING BORANE-INTOLERANT FUNCTIONALITIES PURDUE RESEARCH FOUNDATION (US) 2018-08-30 US disclosed
US-9988402-B2 Amine-boranes bearing borane-intolerant functionalities PURDUE RESEARCH FOUNDATION (US) 2018-06-05 US disclosed
US-9988402-B2 Amine-boranes bearing borane-intolerant functionalities PURDUE RESEARCH FOUNDATION (US) 2018-06-05 US disclosed
US-20180076403-A1 AMINE-BORANES AS ORGANIC LIGANDS FOR SURFACE FUNCTIONALIZATION PURDUE RESEARCH FOUNDATION (US) 2018-03-15 US disclosed
US-20180076403-A1 AMINE-BORANES AS ORGANIC LIGANDS FOR SURFACE FUNCTIONALIZATION PURDUE RESEARCH FOUNDATION (US) 2018-03-15 US disclosed
US-20180051040-A1 AMINE-BORANES BEARING BORANE-INTOLERANT FUNCTIONALITIES PURDUE RESEARCH FOUNDATION (US) 2018-02-22 US disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
US-5763461-A ANTIPICORNAVIRAL AGENTS SANOFI (FR) 1998-06-09 US disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
US-5618821-A VIRICIDES, PICORNAVIRUS SANOFI, S.A. (FR) 1997-04-08 US disclosed
WO-1995031438-A1 THERAPEUTIC PHENOXYALKYLHETEROCYCLES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed
US-4374840-A TREATMENT OF ANGINA, HYPERTENSION AND ARRHYTHMIA KOWA COMPANY, LTD. (JP) 1983-02-22 US 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-20220378744-A1 COMPOUNDS FOR TREATING PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) MEDIATED DISEASES OR CONDITIONS PPARG, PPARA, PPARD CYP1A2 451/4885CYP2C19 807/4885CXCR4 667/4885
US-20180244698-A1 AMINE-BORANES BEARING BORANE-INTOLERANT FUNCTIONALITIES TAAR1, NOS2, NOS1 CYP1A2 945/4885CYP2C19 1124/4885CXCR4 1282/4885
US-20180051040-A1 AMINE-BORANES BEARING BORANE-INTOLERANT FUNCTIONALITIES TAAR1, NOS2, NOS1 CYP1A2 945/4885CYP2C19 1124/4885CXCR4 1282/4885
US-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF ITGAV, ITGA5, ITGB5 CYP1A2 4876/4885CYP2C19 4839/4885CXCR4 290/4885

“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.