SCHEMBL9871152

SCHEMBL9871152

CCCN1CCC(C#N)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
DRD3 P35462 5/20 0.39
DRD2 P14416 5/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP1 P29466 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 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
SCHEMBL27282016 1.00 L3MBTL3 (0.42) L3MBTL3HRH3DRD3DRD2CYP2D6
SCHEMBL27282631 1.00 L3MBTL3 (0.42) L3MBTL3HRH3DRD3DRD2CYP2D6
SCHEMBL30379435 0.89 GNAI3 (0.41) L3MBTL3DRD3DRD2DRD1DRD4
SCHEMBL9869321 0.89 GNAI3 (0.41) L3MBTL3DRD3DRD2DRD1DRD4
SCHEMBL13167818 0.88 HRH3 (0.45) HRH3DRD2
SCHEMBL6920677 0.87 GNAO1 (0.47) DRD3DRD2DRD1DRD4DRD5
SCHEMBL17351087 0.85 GNAO1 (0.50) DRD3DRD2DRD1DRD4DRD5
SCHEMBL24661958 0.83
SCHEMBL24662678 0.83
SCHEMBL9870758 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020156323-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-08-06 WO disclosed
US-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2017-06-15 US disclosed
WO-2015050472-A1 FUSED INDOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 WO disclosed
US-5063228-A 4-(substitutedaminoethyl)-3,4-dihydro-2-alkylpyrimido[1,6-a]benzimidazol-1(2H)-ones as antiarrhythmic agents A. H. ROBBINS COMPANY, INCORPORATED (US) 1991-11-05 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-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP L3MBTL3 3164/4885HRH3 1113/4885DRD3 3461/4885

“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.