SCHEMBL12264162

SCHEMBL12264162

Cc1cccn(CCN2CCN(C)CC2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM1A O60341 1/20 0.42
HTR7 P34969 3/20 0.42
ADRA1B P35368 3/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
KCNH2 Q12809 1/20 0.41
PKM P14618 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.39
HTR1A P08908 2/20 0.39
HTR1B P28222 1/20 0.39
MC4R P32245 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL29299526 0.86 EGLN1 (0.47) DRD2DRD3HTR7ADRA1BADRA1D
SCHEMBL12264182 0.82 CNR2 (0.43) DRD2DRD3PKMHTR1ACNR1
SCHEMBL12264174 0.81 CNR2 (0.50) KDM4EALDH1A1KMT2AMEN1CNR1
SCHEMBL11983509 0.78 DRD2 (0.49) DRD2DRD3KDM4EALDH1A1ADRA1B
SCHEMBL1346196 0.75 PKM (0.46) DRD2DRD3PKMCNR2
SCHEMBL25462892 0.75 DRD2 (0.56) DRD2DRD3ADRA1BHTR1A
SCHEMBL15118465 0.75 EGLN1 (0.50) DRD2ADRA1BADRA1DKMT2AHTR1A
SCHEMBL21384021 0.74 PKM (0.49) DRD2DRD3PKM
SCHEMBL24597279 0.74 PKM (0.45) DRD2DRD3ALDH1A1PKM
SCHEMBL20945300 0.74 KDM1A (0.43) DRD2DRD3KDM4EALDH1A1KDM1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US 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 (1 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-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF F12, F2, SERPINC1 DRD2 3890/4885DRD3 3091/4885KDM4E 990/4885

“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.