SCHEMBL183812

SCHEMBL183812

O=COc1ccccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.57
CDK1 P06493 1/20 0.57
CDK4 P11802 1/20 0.57
CCNB1 P14635 1/20 0.57
CCND1 P24385 1/20 0.57
CCNB3 Q8WWL7 1/20 0.57
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTR1A P08908 5/20 0.51
ADRA1D P25100 4/20 0.51
ADRA1A P35348 4/20 0.51
ADRA1B P35368 4/20 0.51
ALPG P10696 1/20 0.50
PTK2B Q14289 1/20 0.50
DRD2 P14416 1/20 0.50

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
SCHEMBL28184451 0.88 CCNB2 (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL339812 0.83 MAPT (0.71) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL20576460 0.82 SLC6A4 (0.56) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL13646395 0.82 SLC6A4 (0.56) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL30134246 0.82 SLC6A4 (0.56) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL30329637 0.82 SLC6A4 (0.56) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
Formaldehyde SCHEMBL27831678 0.81 MAPT (0.63) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL8584676 0.81 CCNB2 (0.57) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL3923636 0.81 MAPT (0.66) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL9976442 0.80 HPD (0.47) CCNB2CDK1CDK4CCNB1CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501805-A 2007-02-01 JP claimed
EP-1651638-A1 PYRIDYL PIPERAZINYL UREAS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 EP claimed
US-6888001-B2 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. LEE JUNG S (US) 2005-05-03 US claimed
US-20050049241-A1 Pyridyl piperazinyl ureas JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 US claimed
WO-2005014580-A1 PYRIDYL PIPERAZINYL UREAS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 WO claimed
EP-1107965-B1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION ORTHO MCNEIL PHARM INC (US) 2004-08-11 EP claimed
US-20030207858-A1 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. LEE JUNG S (US) 2003-11-06 US claimed
US-6562847-B1 Useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-13 US claimed
EP-1107965-A1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION Ortho-McNeil Pharmaceutical, Inc. (US) 2001-06-20 EP claimed
WO-2000010997-A1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-03-02 WO claimed
US-8618288-B2 Pyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-12-31 US disclosed
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS APODACA RICHARD (US) 2012-12-20 US disclosed
US-8273762-B2 Hexahydro-pyrrolo-isoquinoline compounds JANSSEN PHARMACEUTICA NV (BE) 2012-09-25 US disclosed
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 US disclosed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO disclosed
US-20030207858-A1 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. LEE JUNG S (US) 2003-11-06 US disclosed
US-6562847-B1 Useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-13 US disclosed
EP-1107965-A1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION Ortho-McNeil Pharmaceutical, Inc. (US) 2001-06-20 EP disclosed
WO-2000010997-A1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-03-02 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 (3 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-20050049241-A1 Pyridyl piperazinyl ureas VIPR1, UTS2R, GPR17 CCNB2 3042/4885CDK1 1023/4885CDK4 898/4885
US-20030207858-A1 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. CHRM1, CHRM5, CHRM2 CCNB2 3015/4885CDK1 1938/4885CDK4 4717/4885
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 CCNB2 4120/4885CDK1 3507/4885CDK4 3406/4885

“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.