SCHEMBL515706

SCHEMBL515706

NC(=O)C1CCC1C(N)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KEAP1 Q14145 1/20 0.41
HSD17B10 Q99714 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
CHRM3 P20309 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
EPHX1 P07099 1/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 1/20 0.33

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
SCHEMBL516145 0.80 SLC6A2 (0.39) ALOX5CES2CES1KEAP1OPRM1
SCHEMBL516715 0.74 CYP2D6 (0.58) HSD17B10EPHX1TSHRCYP3A4CYP1A2
SCHEMBL516570 0.73 ALOX5 (0.41) ALOX5CES2CES1HSD17B10EPHX1
SCHEMBL23695497 0.71 ALOX5 (0.36) ALOX5CES2CES1KEAP1CHRM3
SCHEMBL12261646 0.71 ALOX5 (0.36) ALOX5CES2CES1KEAP1CHRM3
SCHEMBL4916608 0.71 ALOX5 (0.36) ALOX5CES2CES1KEAP1CHRM3
SCHEMBL515716 0.70 OPRL1 (0.40) HSD17B10SMN1; SMN2OPRM1OPRK1TSHR
SCHEMBL515991 0.69 CYP3A4 (0.41) HSD17B10EPHX1TSHRCYP3A4CYP1A2
SCHEMBL2830906 0.68 SLC6A3 (0.38) ALOX5HSD17B10MAPTTSHRCYP3A4
SCHEMBL23695650 0.68 SLC6A3 (0.38) ALOX5CES2CES1KEAP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455550-B2 Derivatives of aminocyclobutane or aminocyclobutene, their method of preparation and their use as medical products PIERRE FABRE MEDICAMENT (FR) 2013-06-04 US disclosed
EP-2414323-B1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PF MEDICAMENT (FR) 2013-03-13 EP disclosed
EP-2414323-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS Pierre Fabre Médicament (FR) 2012-02-08 EP disclosed
US-20120029013-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PIERRE FABRE MEDICAMENT (FR) 2012-02-02 US disclosed
WO-2010112597-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PIERRE FABRE MEDICAMENT (FR) 2010-10-07 WO 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-20120029013-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS CYP11B2, BCAT1, CYP11B1 ALOX5 585/4885CES2 2789/4885CES1 899/4885

“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.