SCHEMBL12861004

SCHEMBL12861004

CB(O)N1CCC(C(C)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12879228 0.83 LMNA (0.43) KMT2A
SCHEMBL413824 0.75 NOTUM (0.41) —
SCHEMBL13003306 0.74 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL13534637 0.72 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL14456848 0.72 CHRNB2 (0.65) KMT2ASMN1; SMN2
SCHEMBL12879227 0.72 MAPT (0.30) SMN1; SMN2
SCHEMBL12575353 0.72 PHGDH (0.38) MEN1KMT2A
SCHEMBL6726839 0.72 GPR119 (0.37) —
SCHEMBL890089 0.72 CYP1A2 (0.44) MEN1KMT2ACHRM1SMN1; SMN2
SCHEMBL11842319 0.72 SMN1; SMN2 (0.35) SMN1; SMN2

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-8486974-B2 Efficient aspirin prodrugs THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH (IE) 2013-07-16 — — US disclosed
US-20110046182-A1 EFFICIENT ASPIRIN PRODRUGS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABE (IE) 2011-02-24 — — 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-20110046182-A1 EFFICIENT ASPIRIN PRODRUGS COX15, PTGS1, CYP3A43 CHRM2 2638/4885MEN1 3818/4885CYP2D6 20/4885

“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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