SCHEMBL3265698

SCHEMBL3265698

NC(=O)COC(=O)NCCC1CCN(c2cc(-c3ccccc3)ccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.48
RXRA P19793 1/20 0.46
ITGB2 P05107 4/20 0.41
ICAM1 P05362 4/20 0.41
ITGAL P20701 4/20 0.41
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
USP30 Q70CQ3 1/20 0.40
CHRM2 P08172 2/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
SIRT3 Q9NTG7 2/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL3265684 0.89 CHRM4 (0.49) CHRM4RXRAITGB2ICAM1ITGAL
SCHEMBL1729606 0.85 CHRM4 (0.57) CHRM4RXRAITGB2ICAM1ITGAL
SCHEMBL3265609 0.84 CKS1B (0.41) CHRM4CKS1BSKP1SKP2CHRM2
SCHEMBL3265682 0.84 CHRM4 (0.58) CHRM4CHRM2SIRT2SIRT1SIRT3
SCHEMBL3265663 0.83 CHRM4 (0.44) CHRM4CKS1BSKP1SKP2CHRM2
SCHEMBL3268959 0.82 SCD (0.42) CHRM4
SCHEMBL3265672 0.81 CHRM4 (0.45) CHRM4SIRT2SIRT1SIRT3CHRM3
SCHEMBL3270012 0.80 KDM4E (0.49)
SCHEMBL3265727 0.79 HCAR2 (0.45) CHRM4CKS1BSKP1SKP2
SCHEMBL3270079 0.79 SIRT2 (0.49) CHRM4SIRT2SIRT1SIRT3

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-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2012-01-05 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-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES CLCN2, CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CHRM4 243/4885RXRA 1086/4885ITGB2 1624/4885

“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.