SCHEMBL2882632

SCHEMBL2882632

Cc1ncc2c(F)cccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
PDE10A Q9Y233 1/20 0.39
PARP1 P09874 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
GPR3 P46089 1/20 0.35
PDE7A Q13946 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7B Q9NP56 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 1/20 0.34

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
SCHEMBL8404379 0.80 CYP1A2 (0.42) LMNAHTTGPR3PDK1PDK2
SCHEMBL17531169 0.77 PDK2 (0.33) PDK2NR3C1
SCHEMBL8284885 0.77 KMT2A (0.50) LMNAHTTPARP1GPR3PKM
SCHEMBL5213745 0.77 IDO1 (0.45) LMNAHTTGPR3ALDH1A1MEN1
SCHEMBL27790274 0.77 LMNA (0.36) LMNAHTTPARP1GPR3PDK1
SCHEMBL1261718 0.77 ALDH1A1 (0.47) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL23002965 0.77 MAPT (0.41) PDE10APDGFRBPDGFRAALDH1A1KMT2A
SCHEMBL558627 0.77 ADORA2A (0.49) PDGFRBPDGFRAALDH1A1ADORA2ACYP1A2
SCHEMBL1810679 0.77 PDGFRB (0.37) LMNAPDE10APARP1PDGFRBPDGFRA
SCHEMBL10272460 0.77 PDE10A (0.40) LMNAPDE10APDGFRBPDGFRAPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
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
EP-1480974-A1 HETEROCYCLYLMETHYLPIPERIDINES AND -PIPERAZINES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
EP-1480972-A2 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2004099198-A1 BENZOXAZINONE DERIVATIVES HAVING AFFINITY FOR 5- HT RECEPTORS, THEIR PREPARATION AND USE GLAXO GROUP LIMITED (GB) 2004-11-18 WO disclosed
EP-1476444-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2004-11-17 EP disclosed
EP-1476161-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2004-11-17 EP 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
WO-2003068236-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068760-A2 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068772-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068771-A1 HETEROCYCLYMETHYLPIPERIDINES AND -PIPERAZINES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2003-08-21 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 (6 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 LMNA 2269/4885HTT 857/4885PDE10A 1574/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 LMNA 2215/4885HTT 714/4885PDE10A 1526/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 LMNA 2215/4885HTT 714/4885PDE10A 1526/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 LMNA 2215/4885HTT 714/4885PDE10A 1526/4885
US-20090312546-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F LMNA 1099/4885HTT 997/4885PDE10A 1672/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 LMNA 2215/4885HTT 714/4885PDE10A 1526/4885

“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.