SCHEMBL4015828

SCHEMBL4015828

[c]1sccc1-c1ncco1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.36
LTA4H P09960 1/20 0.35
PIN1 Q13526 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL100765 0.68 HPGDS (0.46) HPGDSLTA4HPIN1BRD4
SCHEMBL3953551 0.68 HPGDS (0.38) HPGDSLTA4HBRD4
SCHEMBL611280 0.67 HPGDS (0.41) HPGDSLTA4HPIN1BRD4
SCHEMBL4435262 0.65 HPGDS (0.33) HPGDSLTA4H
SCHEMBL7183288 0.65 HPGDS (0.36) HPGDSLTA4HBRD4
SCHEMBL7376054 0.65 HPGDS (0.40) HPGDSLTA4HBRD4
SCHEMBL1115187 0.65 HPGDS (0.43) HPGDSLTA4HPIN1BRD4
SCHEMBL722557 0.65 LTA4H (0.64) HPGDSLTA4HBRD4
SCHEMBL28177563 0.64 LTA4H (0.45) HPGDSLTA4HBRD4
SCHEMBL9464782 0.64 HPGDS (0.38) HPGDSLTA4H

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0170498-B1 N-ACETONYL-SUBSTITUTED-AMIDES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN COMBATING FUNGI ROHM AND HAAS COMPANY (US) 1991-09-11 EP claimed
US-20090170897-A1 Method of Treating Neuropathic Pain PFIZER, INC. (US) 2009-07-02 US disclosed
EP-2074110-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-07-01 EP disclosed
WO-2007118900-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
US-20070197587-A1 Quinoline Derivatives as CRTH2 Antagonists PFIZER INC 2007-08-23 US disclosed
US-7220760-B2 Quinoline derivatives as CRTH2 antagonists PFIZER INC. (US) 2007-05-22 US disclosed
EP-1740179-A1 METHOD OF TREATING NEUROPATHIC PAIN USING A CRTH2 RECEPTOR ANTAGONIST Pfizer Limited (GB) 2007-01-10 EP disclosed
EP-1556356-B1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER LAMBERT CO (US) 2006-05-31 EP disclosed
WO-2005102338-A1 METHOD OF TREATING NEUROPATHIC PAIN USING A CRTH2 RECEPTOR ANTAGONIST PFIZER LIMITED (GB) 2005-11-03 WO disclosed
EP-1556356-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS Warner-Lambert Company LLC (US) 2005-07-27 EP disclosed
US-20040132772-A1 1-carbonyl-4-carbonylaminotetrahydroquinoline derivatives; especially treating asthma and allergic rhinitis WARNER-LAMBERT COMPANY LLC 2004-07-08 US disclosed
EP-1435356-A1 Quinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-07-07 EP disclosed
WO-2004035543-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-04-29 WO disclosed
EP-1413306-A1 Tetrahydroquinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-04-28 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 (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-20040132772-A1 1-carbonyl-4-carbonylaminotetrahydroquinoline derivatives; especially treating asthma and allergic rhinitis HRH1, HRH2, HRH4 HPGDS 2285/4885LTA4H 95/4885PIN1 3658/4885
US-20070197587-A1 Quinoline Derivatives as CRTH2 Antagonists HRH2, HRH1, HRH3 HPGDS 2456/4885LTA4H 334/4885PIN1 3488/4885
US-20090170897-A1 Method of Treating Neuropathic Pain OPRL1, CNR2, HRH2 HPGDS 862/4885LTA4H 55/4885PIN1 884/4885

“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.