SCHEMBL515917

SCHEMBL515917

NC(=O)C1(C(N)c2cccc(Cl)c2Cl)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
PNMT P11086 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
OPRM1 P35372 3/20 0.34
OPRL1 P41146 3/20 0.34
CYP2C9 P11712 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA2D1 P54289 2/20 0.33
CACNA1B Q00975 2/20 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
SCHEMBL515717 0.88 OPRL1 (0.40) OPRM1OPRL1CYP2C9OPRD1OPRK1
SCHEMBL516116 0.73 PARP1 (0.40) MEN1KMT2AOPRM1OPRL1OPRD1
SCHEMBL516756 0.72 SLC6A3 (0.39) ALDH1A1LMNA
SCHEMBL516716 0.71 LMNA (0.37) CYP1A2CYP2D6LMNA
SCHEMBL11080393 0.71 MEN1 (0.49) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL381133 0.71 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL18742822 0.70 HDAC4 (0.45) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL18742623 0.67 HDAC4 (0.47) CYP3A4CYP2D6ALDH1A1LMNAGLA
SCHEMBL515707 0.67 ALOX5 (0.42) OPRM1OPRL1OPRD1OPRK1
SCHEMBL17513421 0.66 CXCL8 (0.60) CYP1A2CYP3A4CYP2D6NFKB1PNMT

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 CYP1A2 25/4885CYP3A4 227/4885CYP2D6 38/4885

“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.