SCHEMBL516715

SCHEMBL516715

NC(=O)C1CCC1C(N)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.58
CYP1A2 P05177 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
EPHX1 P07099 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
GRM2 Q14416 2/20 0.38
GRM3 Q14832 2/20 0.38
KCNH2 Q12809 1/20 0.37
SCN3A Q9NY46 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 2/20 0.37
GPR88 Q9GZN0 1/20 0.36

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
SCHEMBL515991 0.83 CYP3A4 (0.41) CYP2D6CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL516115 0.82 OPRL1 (0.47) CYP2D6CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL516129 0.81 CYP3A4 (0.56) CYP2D6CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL516554 0.78 L3MBTL1 (0.49) CYP2D6CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL516570 0.78 ALOX5 (0.41) CYP2D6CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL515716 0.78 OPRL1 (0.40) CYP2D6CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL516132 0.77 CYP3A4 (0.52) CYP2D6CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL516755 0.76 SLC6A3 (0.41)
SCHEMBL515667 0.75 CYP1A2 (0.47) CYP2D6CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL515706 0.74 ALOX5 (0.41) CYP2D6CYP1A2HSD17B10CYP3A4TSHR

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 CYP2D6 38/4885CYP1A2 25/4885HSD17B10 393/4885

“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.