SCHEMBL2884411

SCHEMBL2884411

Cc1ccc2c(N3CCN(CC(O)c4cccc(N)c4)CC3)cccc2n1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.65
HTR1D P28221 16/20 0.65
HTR1B P28222 16/20 0.65
CYP2C9 P11712 4/20 0.54
DRD2 P14416 9/20 0.49
HTR7 P34969 9/20 0.49
DRD3 P35462 9/20 0.49
KCNH2 Q12809 8/20 0.49
HTR2A P28223 8/20 0.49
HTR2B P41595 8/20 0.49
HTR6 P50406 2/20 0.49
HTR2C P28335 7/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC6A4 P31645 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
SCHEMBL2883583 0.90 HTR1A (0.65) HTR1AHTR1DHTR1BCYP2C9DRD2
Hydrochloric Acid SCHEMBL2884192 0.84 HTR1D (0.54) HTR1AHTR1DHTR1BCYP2C9DRD2
SCHEMBL2884623 0.84 HTR1A (0.69) HTR1AHTR1DHTR1BDRD2HTR7
SCHEMBL27650507 0.83 HTR1D (0.53) HTR1AHTR1DHTR1BCYP2C9DRD2
Hydrochloric Acid SCHEMBL2884542 0.83 HTR1A (0.68) HTR1AHTR1DHTR1BCYP2C9DRD2
Hydrochloric Acid SCHEMBL2885896 0.83 HTR1D (0.69) HTR1AHTR1DHTR1BCYP2C9DRD2
Hydrochloric Acid SCHEMBL2884177 0.83 HTR1D (0.53) HTR1AHTR1DHTR1BCYP2C9DRD2
SCHEMBL6065387 0.79 HTR1A (0.46) HTR1AHTR1DHTR1BCYP2C9DRD2
SCHEMBL27670535 0.79 HTR1A (0.43) HTR1AHTR1DHTR1BCYP2C9DRD2
SCHEMBL2878229 0.79 HTR1A (1.00) HTR1AHTR1DHTR1BCYP2C9DRD2

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 16 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
EP-1646613-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2006-04-19 EP disclosed
WO-2005014552-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2005-02-17 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 (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 HTR1A 5/4885HTR1D 6/4885HTR1B 9/4885
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F HTR1A 1/4885HTR1D 2/4885HTR1B 4/4885
US-20080280919-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F HTR1A 1/4885HTR1D 2/4885HTR1B 4/4885
US-20070167423-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F HTR1A 1/4885HTR1D 2/4885HTR1B 5/4885
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors HTR1A, HTR1D, HTR1F HTR1A 1/4885HTR1D 2/4885HTR1B 5/4885

“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.