SCHEMBL19969739

SCHEMBL19969739

CCCN1CCc2cccc(C(F)(F)F)c2C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
PNMT P11086 2/20 0.52
SIGMAR1 Q99720 1/20 0.43
PHGDH O43175 1/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
ACACB O00763 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
C5AR1 P21730 1/20 0.40

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
SCHEMBL6466785 0.88 DRD2 (0.51) DRD2PNMTPHGDHKMT2AACACB
SCHEMBL21882783 0.87 DRD2 (0.42) DRD2PNMTLMNAKMT2ADRD3
SCHEMBL4382315 0.83 DRD2 (0.50) DRD2PNMTACACBHRH3
SCHEMBL19962315 0.83 DRD2 (0.49) DRD2PHGDHKMT2AACACBC5AR1
SCHEMBL12852534 0.80 MAOA (0.52) DRD2SIGMAR1PHGDHDRD4DRD3
SCHEMBL3423587 0.80 DRD2 (0.47) DRD2PHGDHKMT2AACACB
SCHEMBL14904892 0.79 PNMT (0.57) DRD2PNMTSIGMAR1KMT2ADRD4
SCHEMBL16154958 0.75 PNMT (0.54) DRD2PNMTSIGMAR1KMT2ADRD4
SCHEMBL17124796 0.75 PHGDH (0.44) DRD2PHGDHKMT2AACACBC5AR1
SCHEMBL22597699 0.75 PNMT (0.51) DRD2PNMTHRH3

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-20180072677-A1 Peptidomimetics and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-15 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-20180072677-A1 Peptidomimetics and Methods of Using the Same OPRM1, OPRL1, OPRD1 DRD2 179/4885PNMT 433/4885SIGMAR1 6/4885

“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.