SCHEMBL844235

SCHEMBL844235

CCN1CCN(c2ccc(CO)c(Cl)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.58
GAA P10253 2/20 0.50
RAD52 P43351 2/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRNA7 P36544 1/20 0.47
BCL2A1 Q16548 1/20 0.47
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.43
CYP2D6 P10635 3/20 0.43
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP2C9 P11712 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL844420 0.85 GAA (0.54) DRD4GAARAD52MAPTKDM4E
SCHEMBL11245265 0.84 DRD4 (0.57) DRD4GAAMAPTKDM4EGFER
SCHEMBL10163611 0.82 BCL2A1 (0.63) DRD4GAARAD52MAPTKDM4E
SCHEMBL11497900 0.81 DRD4 (0.55) DRD4MAPTSMN1; SMN2HTTKMT2A
SCHEMBL7916691 0.81 DRD4 (0.53) DRD4GAAMAPTGFERSMN1; SMN2
SCHEMBL25556655 0.81 GAA (0.64) DRD4GAARAD52MAPTKDM4E
SCHEMBL11252062 0.81 DRD4 (0.54) DRD4MAPTKDM4EGFERSMN1; SMN2
SCHEMBL10968988 0.79 DRD4 (0.56) DRD4MAPTGFERSMN1; SMN2MAPK1
SCHEMBL30724195 0.79 GAA (0.66) DRD4GAARAD52MAPTKDM4E
SCHEMBL11004107 0.78 ADRB1 (0.65) DRD4HTTCYP2D6CYP2C19CYP2C9

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
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
EP-2432776-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS Chlorion Pharma, Inc. (CA) 2012-03-28 EP disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO disclosed
EP-0011857-B1 2-CHLORO-4-(4-LOWER ALKYL-1-PIPERAZINYL)-BENZENEMETHANOL-NW-OXIDES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Edna McConnell Clark Foundation (US) 1982-02-03 EP disclosed
US-4234583-A SCHISTOSOMIASIS EDNA MCCONNELL CLARK FOUNDATION (US) 1980-11-18 US disclosed
EP-0011857-A1 2-Chloro-4-(4-lower alkyl-1-piperazinyl)-benzenemethanol-Nw-oxides, methods for their preparation and pharmaceutical compositions containing them Edna McConnell Clark Foundation (US) 1980-06-11 EP 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 (2 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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP DRD4 4315/4885GAA 1107/4885RAD52 4244/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP DRD4 4315/4885GAA 1107/4885RAD52 4244/4885

“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.