SCHEMBL2883183

SCHEMBL2883183

Cc1ccc2c(N3CCN(CCc4cccc(N5C(=O)CCC5=O)c4)CC3)cccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 17/20 1.00
HTR1B P28222 17/20 1.00
HTR1A P08908 16/20 1.00
KCNH2 Q12809 8/20 0.73
DRD2 P14416 7/20 0.73
HTR7 P34969 7/20 0.73
DRD3 P35462 7/20 0.73
HTR2A P28223 6/20 0.73
HTR2B P41595 6/20 0.73
HTR2C P28335 5/20 0.73
CYP2C9 P11712 4/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C19 P33261 1/20 0.73
HTR6 P50406 2/20 0.71
SLC6A4 P31645 3/20 0.64

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
Hydrochloric Acid SCHEMBL2884645 0.89 HTR1D (0.80) HTR1DHTR1BHTR1AKCNH2DRD2
SCHEMBL2884211 0.89 HTR1D (0.80) HTR1DHTR1BHTR1AKCNH2DRD2
SCHEMBL2882028 0.88 HTR1D (0.78) HTR1DHTR1BHTR1AKCNH2DRD2
SCHEMBL2879022 0.86 HTR1D (0.76) HTR1DHTR1BHTR1AKCNH2DRD2
SCHEMBL2885421 0.86 HTR1D (0.75) HTR1DHTR1BHTR1AKCNH2DRD2
SCHEMBL2880759 0.85 HTR1D (0.74) HTR1DHTR1BHTR1AKCNH2DRD2
SCHEMBL2882984 0.85 HTR1D (0.76) HTR1DHTR1BHTR1AKCNH2DRD2
Hydrochloric Acid SCHEMBL2880760 0.85 HTR1D (0.76) HTR1DHTR1BHTR1AKCNH2DRD2
SCHEMBL2884839 0.84 HTR1D (0.73) HTR1DHTR1BHTR1AKCNH2DRD2
Gsk163090 SCHEMBL2881345 0.84 HTR1A (1.00) HTR1DHTR1BHTR1AKCNH2DRD2

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
US-20100204273-A1 Quinoline and Quinazoline Derivatives Having Affinity for 5HT1-Type Receptors GLAXO GROUP LIMITED 2010-08-12 US disclosed
US-7732600-B2 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
EP-2145622-A1 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors Glaxo Group Limited (GB) 2010-01-20 EP disclosed
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2009-12-17 US disclosed
EP-1876174-B1 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LTD (GB) 2009-11-11 EP disclosed
US-7592346-B2 e.g. 3-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-1,3-oxazolidin-2-one; serotonin receptor antagonist and inverse agonists, agonists or partial agonists, serotonin reuptake inhibitor; antidepressant, anxiolytic agent GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
CN-100441571-C Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LTD (GB) 2008-12-10 CN disclosed
US-7459456-B2 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2008-12-02 US disclosed
US-20080280919-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2008-11-13 US disclosed
EP-1876174-A1 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
US-7279481-B2 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20070167423-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2007-07-19 US disclosed
CN-1852896-A Quinoline and quinazoline derivatives having affinity for 5HT 1-type receptors GLAXO GROUP LTD (GB) 2006-10-25 CN disclosed
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors GLAXO GROUP LIMITED (GB) 2006-10-12 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 (5 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-20100204273-A1 Quinoline and Quinazoline Derivatives Having Affinity for 5HT1-Type Receptors OPRK1, OPRL1, OPRD1 HTR1D 6/4885HTR1B 9/4885HTR1A 5/4885
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F HTR1D 2/4885HTR1B 4/4885HTR1A 1/4885
US-20080280919-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F HTR1D 2/4885HTR1B 4/4885HTR1A 1/4885
US-20070167423-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F HTR1D 2/4885HTR1B 5/4885HTR1A 1/4885
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors HTR1A, HTR1D, HTR1F HTR1D 2/4885HTR1B 5/4885HTR1A 1/4885

“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.