SCHEMBL17779211

SCHEMBL17779211

CCCN1CCCC(c2ccncc2)C1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.72
▸ DRD4 P21917 5/20 0.72
▸ DRD3 P35462 5/20 0.72
▸ DRD1 P21728 3/20 0.72
▸ DRD5 P21918 3/20 0.72
▸ SIGMAR1 Q99720 3/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ PRCP P42785 1/20 0.58
▸ EBP Q15125 1/20 0.58

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
SCHEMBL16410879 0.87 DRD2 (0.54) DRD2DRD4DRD3DRD1DRD5
SCHEMBL1546230 0.84 DRD3 (1.00) DRD2DRD4DRD3DRD1DRD5
SCHEMBL1546231 0.84 DRD3 (1.00) DRD2DRD4DRD3DRD1DRD5
SCHEMBL12841897 0.82 DRD2 (0.70) DRD2SIGMAR1
SCHEMBL1546881 0.81 DRD4 (0.72) DRD2DRD4DRD3DRD1DRD5
SCHEMBL1638067 0.81 DRD3 (0.72) DRD2DRD4DRD3DRD1DRD5
SCHEMBL1547055 0.81 DRD4 (0.72) DRD2DRD4DRD3DRD1DRD5
Hydrochloric Acid SCHEMBL10352095 0.81 DRD2 (0.70) DRD2DRD4DRD3DRD1DRD5
SCHEMBL20611963 0.80 LSS (0.50) DRD2DRD4DRD3DRD1DRD5
SCHEMBL18744076 0.80 DRD2 (0.47) DRD2DRD4DRD3DRD1DRD5

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
US-9624211-B2 Anti-cancer compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-18 — — US disclosed
US-20160145250-A1 ANTI-CANCER COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-26 — — 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-20160145250-A1 ANTI-CANCER COMPOUNDS SKP2, TP53, TEAD2 DRD2 3791/4885DRD4 3147/4885DRD3 3537/4885

“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.

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