SCHEMBL17817484

SCHEMBL17817484

CCCCCCCCCCCCN1CCN(c2cccc3[nH]ccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.60
DRD3 P35462 3/20 0.60
DRD4 P21917 1/20 0.60
GAA P10253 2/20 0.59
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.55
ADRB1 P08588 1/20 0.55
HTR6 P50406 1/20 0.55
ADRA1A P35348 1/20 0.54
HTR1A P08908 1/20 0.52

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
SCHEMBL791195 0.86 DRD2 (0.61) DRD2DRD3DRD4GAAMAPT
SCHEMBL29046800 0.84 DRD2 (0.66) DRD2DRD3DRD4GAAMAPT
SCHEMBL23102103 0.84 DRD2 (0.68) DRD2DRD3DRD4GAAMAPT
SCHEMBL7699834 0.83 DRD2 (0.47) DRD2DRD3DRD4GAAKDM4E
SCHEMBL11786956 0.82 LMNA (0.57) DRD2DRD3GAAKDM4ELMNA
SCHEMBL7732059 0.81 DRD2 (0.69) DRD2DRD3DRD4GAAMAPT
SCHEMBL5113532 0.81 DRD2 (0.65) DRD2DRD3DRD4GAAMAPT
SCHEMBL7534110 0.81 DRD2 (0.65) DRD2DRD3DRD4GAAMAPT
SCHEMBL2161623 0.81 DRD2 (0.58) DRD2DRD3DRD4GAAMAPT
SCHEMBL7094582 0.80 GAA (0.55) DRD2DRD3DRD4GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 DRD2 2649/4885DRD3 3283/4885DRD4 3924/4885

“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.