SCHEMBL2881245

SCHEMBL2881245

Cc1ccc2c(N3CCNCC3)cc(Cl)cc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.60
ADRB2 P07550 4/20 0.60
ADRB1 P08588 2/20 0.60
HTR1A P08908 2/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
SLC6A4 P31645 1/20 0.48
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
SOS1 Q07889 1/20 0.44
HTR2C P28335 2/20 0.44
HTR6 P50406 2/20 0.44
ADRA2A P08913 1/20 0.44
AXL P30530 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44

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
SCHEMBL3784426 0.89 NCF1 (0.68) NCF1ADRB2ADRB1HTR1AHTR1D
SCHEMBL4171486 0.86 NCF1 (0.63) NCF1ADRB2ADRB1HTR1AHTR1D
SCHEMBL6205989 0.84 NCF1 (0.62) NCF1ADRB2ADRB1HTR1AHTR1D
SCHEMBL431110 0.83 NCF1 (0.60) NCF1ADRB2ADRB1HTR1AHTR1D
SCHEMBL8237908 0.80 NCF1 (0.72) NCF1ADRB2ADRB1HTR1AHTR3A
SCHEMBL5637415 0.79 NCF1 (0.70) NCF1ADRB2ADRB1HTR3EHTR3B
SCHEMBL14515746 0.78 NCF1 (0.60) NCF1ADRB2ADRB1HTR1AHTR1D
SCHEMBL428165 0.78 NCF1 (0.69) NCF1ADRB2ADRB1HTR1AHTR1D
SCHEMBL899675 0.75 NCF1 (1.00) NCF1ADRB2ADRB1HTR6KDM4E
SCHEMBL30058969 0.75 NCF1 (1.00) NCF1ADRB2ADRB1HTR6KDM4E

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 20 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
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 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
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 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
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2005014552-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 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 (7 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 NCF1 2597/4885ADRB2 99/4885ADRB1 61/4885
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F NCF1 1712/4885ADRB2 93/4885ADRB1 68/4885
US-20080280919-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F NCF1 2015/4885ADRB2 117/4885ADRB1 78/4885
US-20070167423-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F NCF1 1952/4885ADRB2 119/4885ADRB1 73/4885
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX NCF1 3910/4885ADRB2 456/4885ADRB1 359/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX NCF1 3681/4885ADRB2 1020/4885ADRB1 1042/4885
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors HTR1A, HTR1D, HTR1F NCF1 1952/4885ADRB2 119/4885ADRB1 73/4885

“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.