SCHEMBL1899201

SCHEMBL1899201

c1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 1.00
HRH3 Q9Y5N1 9/20 0.84
KCNH2 Q12809 2/20 0.82
HRH1 P35367 1/20 0.82
HRH4 Q9H3N8 1/20 0.77
NPC1 O15118 1/20 0.72
RAB9A P51151 1/20 0.72
BACE1 P56817 1/20 0.72

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
SCHEMBL14970484 0.98 LTA4H (0.97) LTA4HHRH3KCNH2HRH1HRH4
SCHEMBL4094594 0.92 HRH3 (1.00) LTA4HHRH3KCNH2HRH1HRH4
SCHEMBL10679417 0.90 HRH3 (0.97) LTA4HHRH3KCNH2HRH1HRH4
SCHEMBL491626 0.90 HRH3 (1.00) LTA4HHRH3KCNH2HRH1HRH4
SCHEMBL255201 0.89 LTA4H (0.86) LTA4HHRH3BACE1
SCHEMBL492265 0.89 HRH3 (0.97) LTA4HHRH3KCNH2HRH1HRH4
SCHEMBL10676754 0.89 HRH3 (0.97) LTA4HHRH3KCNH2HRH1HRH4
Ammonia Solution, Strong SCHEMBL264615 0.87 LTA4H (0.83) LTA4HHRH3BACE1
SCHEMBL3951411 0.87 LTA4H (0.83) LTA4HHRH3KCNH2HRH1BACE1
SCHEMBL5870409 0.87 LTA4H (0.83) LTA4HHRH3KCNH2HRH1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009105723-A2 NOVEL METHODS FOR BONE TREATMENT BY MODULATING AN ARACHIDONIC ACID METABOLIC OR SIGNALING PATHWAY ACCELALOX, INC. (US) 2009-08-27 WO claimed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-20110105959-A1 Novel Methods for Bone Treatment by Modulating an Arachidonic Acid Metabolic or Signaling Pathway ACCELALOX, INC. (US) 2011-05-05 US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
WO-2009105723-A2 NOVEL METHODS FOR BONE TREATMENT BY MODULATING AN ARACHIDONIC ACID METABOLIC OR SIGNALING PATHWAY ACCELALOX, INC. (US) 2009-08-27 WO disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 US disclosed
EP-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0993300-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-31 EP disclosed
WO-2001085166-A1 METHODS FOR INHIBITING PROLIFERATION AND INDUCING APOPTOSIS IN CANCER CELLS CREIGHTON UNIVERSITY (US) 2001-11-15 WO disclosed
EP-0993300-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 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 (3 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-20090220583-A1 Method and composition for treating inflammatory disorders LIPA, HRH2, HRH1 LTA4H 6/4885HRH3 5/4885KCNH2 688/4885
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 LTA4H 6/4885HRH3 5/4885KCNH2 688/4885
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas LTB4R, LTA4H, LTA LTA4H 2/4885HRH3 2276/4885KCNH2 4012/4885

“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.