SCHEMBL4881730

SCHEMBL4881730

NC1CCN(CCP(=O)(O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
ENPP1 P22413 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CARM1 Q86X55 2/20 0.34
PRMT6 Q96LA8 2/20 0.34
PRMT1 Q99873 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
THRB P10828 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 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
Butane SCHEMBL4648880 0.81 GNAI3 (0.58) GNAI3GNAO1GNAI1SPHK1GRIN2D
SCHEMBL3975041 0.80 TYMS (0.43) ENPP1ALDH1A1GRIN2DGRIN3BTHRB
SCHEMBL3969202 0.80 TYMS (0.43) ENPP1ALDH1A1GRIN2DGRIN3BTHRB
Hydrochloric Acid SCHEMBL4883686 0.78 GNAI3 (0.40) GNAI3GNAO1GNAI1ALDH1A1ANPEP
SCHEMBL3971700 0.74 ENPP1 (0.38) ENPP1ALDH1A1GRIN2DGRIN3BTHRB
SCHEMBL24625962 0.72 MAPT (0.41) ENPP1ALDH1A1GRIN2DGRIN3BTHRB
Hydrochloric Acid SCHEMBL25311139 0.72 MAPT (0.52) ALDH1A1CARM1PRMT6PRMT8CYP1A2
SCHEMBL916237 0.72 GNAI3 (0.50) GNAI3GNAO1GNAI1SPHK1ALDH1A1
SCHEMBL18161710 0.71 LPAR3 (0.41) ENPP1S1PR1S1PR3S1PR5S1PR4
SCHEMBL23936862 0.71 CARM1 (0.67) GNAI3GNAO1GNAI1CARM1PRMT6

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-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 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-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE GNAI3 917/4885GNAO1 3197/4885GNAI1 566/4885

“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.