SCHEMBL1554089

SCHEMBL1554089

O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 19/20 1.00
CHRM2 P08172 1/20 1.00
CHRM4 P08173 1/20 1.00
CHRM5 P08912 1/20 1.00
DRD2 P14416 1/20 1.00
CHRM3 P20309 1/20 1.00
HTR2A P28223 1/20 1.00
ADRA1A P35348 1/20 1.00
HRH1 P35367 1/20 1.00
ADRA1B P35368 1/20 1.00
KCNH2 Q12809 1/20 1.00
MCHR1 Q99705 1/20 1.00

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
SCHEMBL4049615 0.90 CHRM1 (0.82) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4051358 0.90 CHRM1 (0.83) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4231619 0.88 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4222231 0.87 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4226612 0.86 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4236803 0.85 CHRM1 (0.74) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4227484 0.85 CHRM1 (0.74) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4224843 0.85 CHRM1 (0.74) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4221304 0.85 CHRM1 (0.73) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL4237250 0.85 CHRM1 (0.73) CHRM1CHRM2CHRM4CHRM5DRD2

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
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
EP-2773642-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS Afraxis Holdings, Inc. (US) 2014-09-10 EP disclosed
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 US disclosed
EP-2694504-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER Afraxis Holdings, Inc. (US) 2014-02-12 EP disclosed
WO-2013067423-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AFRAXIS, INC. (US) 2013-05-10 WO disclosed
US-20130116263-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AFRAXIS, INC. (US) 2013-05-09 US disclosed
WO-2013043232-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H) -ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS, INC. (US) 2013-03-28 WO disclosed
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2013-03-07 US disclosed
US-8372970-B2 8-ethyl-6-(aryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS, INC. (US) 2013-02-12 US disclosed
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-02-07 US disclosed
US-20120270866-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS INC. (US) 2012-10-25 US disclosed
US-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2012-10-25 US disclosed
EP-2504011-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT Afraxis, Inc. (US) 2012-10-03 EP disclosed
EP-2486037-A2 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS Afraxis, Inc. (US) 2012-08-15 EP disclosed
EP-2485733-A2 METHODS FOR TREATING ALZHEIMER'S DISEASE Afraxis, Inc. (US) 2012-08-15 EP disclosed
WO-2011063415-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2011-05-26 WO disclosed
WO-2011044537-A2 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2011-04-14 WO disclosed
WO-2011044535-A2 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-04-14 WO disclosed
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 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 (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-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE PSEN2, MAPT, PSEN1 CHRM1 2905/4885CHRM2 1888/4885CHRM4 1469/4885
US-20130116263-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS PAK2, PAK3, PAK1 CHRM1 4879/4885CHRM2 4876/4885CHRM4 4871/4885
US-20120270866-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 CHRM1 4530/4885CHRM2 4478/4885CHRM4 3836/4885
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 CHRM1 4530/4885CHRM2 4478/4885CHRM4 3836/4885
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 CHRM1 4857/4885CHRM2 4852/4885CHRM4 4795/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 CHRM1 877/4885CHRM2 400/4885CHRM4 402/4885

“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.