SCHEMBL21362950

SCHEMBL21362950

CCN1CCc2cc(C(C)CCC(C)c3ccc4c(c3)CN(C)CC4)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
DRD1 P21728 2/20 0.42
DRD5 P21918 1/20 0.42
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
ACACB O00763 2/20 0.39
SLC6A4 P31645 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.39
PNMT P11086 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
SCHEMBL14046191 0.81 HRH3 (0.48) HRH3DRD1ACACBDRD2DRD3
SCHEMBL14102479 0.81 HRH3 (0.48) HRH3DRD1ACACBDRD2DRD3
SCHEMBL20884710 0.78 HRH3 (0.37) HRH3DRD1DRD5MAOAMAOB
SCHEMBL12628112 0.76 MAOA (0.55) DRD1DRD5MAOAMAOBSLC6A4
SCHEMBL25814865 0.74 DRD2 (0.51) HRH3DRD1DRD5ACACBDRD2
SCHEMBL29310399 0.74 NMT1 (0.34) DRD1DRD5DRD2DRD3PNMT
SCHEMBL1619374 0.74 MAOA (0.52) DRD1DRD5MAOAMAOBSLC6A4
SCHEMBL24253320 0.74 HRH3 (0.38) HRH3DRD1DRD5MAOAMAOB
SCHEMBL22544135 0.74 DRD2 (0.43) HRH3ACACBDRD2DRD3
SCHEMBL24671706 0.73 MAOA (0.52) DRD1DRD5MAOAMAOBSLC6A4

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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP HRH3 4533/4885DRD1 4411/4885DRD5 3848/4885

“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.