SCHEMBL18937447

SCHEMBL18937447

CCC(C)(C)CC(C)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.35
GRIN2A Q12879 6/20 0.35
GRIN2D O15399 5/20 0.35
GRIN2C Q14957 5/20 0.35
GRIN2B Q13224 4/20 0.35
OPRM1 P35372 2/20 0.34
CACNA1F O60840 1/20 0.34
ABCB1 P08183 1/20 0.34
CYP2B6 P20813 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
MRGPRX2 Q96LB1 1/20 0.34

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
SCHEMBL16126021 0.75 GRIN1 (0.34) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL17282080 0.75 GRIN1 (0.34) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL26465300 0.73
SCHEMBL27371291 0.73 GRIN1 (0.33) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL27936381 0.72
SCHEMBL25083630 0.72
SCHEMBL100229 0.71
SCHEMBL20768162 0.70 GRIN1 (0.32) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL19034555 0.70 GRIN1 (0.32) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL12557935 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3928779-A1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. Chugai Seiyaku Kabushiki Kaisha (JP) 2021-12-29 EP disclosed
US-11022592-B2 Chemical self-doping of one-dimensional organic nanomaterials for high conductivity application in chemiresistive sensing gas or vapor UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
US-20170160252-A1 CHEMICAL SELF-DOPING OF ONE-DIMENSIONAL ORGANIC NANOMATERIALS FOR HIGH CONDUCTIVITY APPLICATION IN CHEMIRSISTIVE SENSING GAS OR VAPOR UNIVERSITY OF UTAH 2017-06-08 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 (2 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-20170160252-A1 CHEMICAL SELF-DOPING OF ONE-DIMENSIONAL ORGANIC NANOMATERIALS FOR HIGH CONDUCTIVITY APPLICATION IN CHEMIRSISTIVE SENSING GAS OR VAPOR DRD1, DRD4, DNER GRIN1 1874/4885GRIN2A 2074/4885GRIN2D 319/4885
US-11022592-B2 Chemical self-doping of one-dimensional organic nanomaterials for high conductivity application in chemiresistive sensing gas or vapor DRD1, DRD2, DNER GRIN1 1561/4885GRIN2A 1727/4885GRIN2D 206/4885

“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.