SCHEMBL1025313

SCHEMBL1025313

Nc1ccc(OCCN2CCCC2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.61
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AXL P30530 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.47
HTR2C P28335 3/20 0.46
KDR P35968 2/20 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
SCHEMBL3442370 0.98 LTA4H (0.60) LTA4HPTGS1PTGS2ESR1ESR2
Hydrochloric Acid SCHEMBL1641707 0.98 LTA4H (0.60) LTA4HPTGS1PTGS2ESR1ESR2
SCHEMBL14568590 0.91 KDM4E (0.56) LTA4HESR1ESR2KDM4EMEN1
SCHEMBL12005829 0.88 TLR7 (0.49) LTA4HESR1ESR2KDM4EMEN1
SCHEMBL2718979 0.87 KDM4E (0.57) LTA4HKDM4EALDH1A1AXLTSHR
SCHEMBL4773803 0.87 LTA4H (0.52) LTA4HPTGS1PTGS2ESR1ESR2
SCHEMBL23291321 0.84 LTA4H (0.68) LTA4HESR1ESR2KDM4EMEN1
SCHEMBL30428141 0.84 LTA4H (0.68) LTA4HESR1ESR2KDM4EMEN1
SCHEMBL15441046 0.82 SMN1; SMN2 (0.57) LTA4HPTGS1PTGS2ESR1ESR2
SCHEMBL2324209 0.82 LTA4H (0.61) LTA4HESR1ESR2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
US-12391676-B2 BRD4-JAK2 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2025-08-19 US disclosed
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 US disclosed
US-20220119370-A1 BRD4-JAK2 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-04-21 US disclosed
US-20220119370-A1 BRD4-JAK2 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-04-21 US disclosed
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-02-24 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
WO-2020140054-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
WO-2009032667-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032667-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 WO disclosed
US-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors NOVARTIS AG 2008-12-18 US disclosed
EP-1976847-A2 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS Novartis AG (CH) 2008-10-08 EP disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed
WO-2007071752-A2 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
WO-2007070872-A1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 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 (10 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 LTA4H 1604/4885PTGS1 1756/4885PTGS2 2306/4885
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK LTA4H 3185/4885PTGS1 843/4885PTGS2 1226/4885
US-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors FGFR1, FGF1, FGF2 LTA4H 3869/4885PTGS1 814/4885PTGS2 895/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 LTA4H 1604/4885PTGS1 1756/4885PTGS2 2306/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK LTA4H 3185/4885PTGS1 843/4885PTGS2 1226/4885
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK LTA4H 3185/4885PTGS1 843/4885PTGS2 1226/4885
US-12391676-B2 BRD4-JAK2 inhibitors BRD4, BICRA, JAK2 LTA4H 2445/4885PTGS1 1375/4885PTGS2 1493/4885
US-20220119370-A1 BRD4-JAK2 INHIBITORS BRD4, BICRA, JAK2 LTA4H 2445/4885PTGS1 1375/4885PTGS2 1493/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK LTA4H 3185/4885PTGS1 843/4885PTGS2 1226/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LTA4H 1373/4885PTGS1 1996/4885PTGS2 1885/4885

“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.