SCHEMBL29655905

SCHEMBL29655905

O=C(Nc1cccnc1)NC1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.63
DRD4 P21917 1/20 0.63
POLB P06746 1/20 0.59
EPHX2 P34913 1/20 0.58
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47

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
SCHEMBL22685999 1.00 DRD2 (0.63) DRD2DRD4POLBEPHX2MAPT
SCHEMBL23645894 0.87 ALDH1A1 (0.60) DRD2DRD4ALDH1A1
SCHEMBL23666145 0.86 POLB (0.62) DRD2DRD4POLBEPHX2ALDH1A1
SCHEMBL22686011 0.85 EPHX2 (0.59) DRD2DRD4POLBEPHX2RAB9A
SCHEMBL22686119 0.85 POLB (0.56) DRD2DRD4POLBEPHX2
SCHEMBL29656088 0.85 POLB (0.56) DRD2DRD4POLBEPHX2
SCHEMBL22686719 0.80 POLB (0.58) DRD2DRD4POLBEPHX2KDM4E
SCHEMBL22660108 0.78 POLB (0.56) DRD2POLBEPHX2
SCHEMBL2006084 0.78 DEGS1 (0.51) DRD2DRD4MAPTKDM4E
SCHEMBL22687453 0.78 EPHX2 (0.57) POLBEPHX2KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213074-A1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2022-07-07 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-20220213074-A1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME ABHD12, SAMHD1, ABHD11 DRD2 4012/4885DRD4 4380/4885POLB 919/4885

“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.