SCHEMBL19969935

SCHEMBL19969935

CCCN1CCCC2(CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
ADRA1B P35368 1/20 0.39
KDM4E B2RXH2 1/20 0.37
DRD2 P14416 4/20 0.35
DRD3 P35462 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL23135331 0.89 KDM4E (0.40) HTR1AADRA1BKDM4EDRD2DRD3
SCHEMBL21107507 0.87 KDM4E (0.43) HTR1AADRA1BKDM4EDRD2DRD3
SCHEMBL25622445 0.81 OPRM1 (0.40) HTR1AADRA1BKDM4EDRD2DRD3
SCHEMBL24589644 0.80 KDM4E (0.40) KDM4EDRD2DRD3SIGMAR1CYP1A2
SCHEMBL18820461 0.79 TSHR (0.46) DRD2DRD3CYP1A2CYP2D6
SCHEMBL255945 0.78 TSHR (0.42) HTR1AADRA1BKDM4ECYP2D6
SCHEMBL23135328 0.77 DRD2 (0.49) DRD2DRD3SIGMAR1CYP1A2CYP2D6
SCHEMBL24847793 0.77 KDM4E (0.41) HTR1AADRA1BKDM4EDRD2DRD3
SCHEMBL22958640 0.77 OPRM1 (0.40) KDM4EDRD2DRD3CYP2D6
SCHEMBL2745438 0.77

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 HTR1A 226/4885ADRA1B 113/4885KDM4E 4537/4885

“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.