SCHEMBL516145

SCHEMBL516145

CCN(CC)C(=O)[C@@H]1CC[C@@H]1C(N)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GUSB P08236 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
KIF11 P52732 4/20 0.35
GPR88 Q9GZN0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ACKR3 P25106 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KEAP1 Q14145 1/20 0.35
MAPT P10636 1/20 0.34
CYP2D6 P10635 1/20 0.34
RECQL P46063 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL515706 0.80 ALOX5 (0.41) ALOX5ALDH1A1OPRM1OPRK1CES2
SCHEMBL516132 0.79 CYP3A4 (0.52) GPR88KDM4ECYP2D6USP2
SCHEMBL516758 0.78 SLC6A2 (0.39) SLC6A2SLC6A4ALOX5ALDH1A1KIF11
SCHEMBL515735 0.75 MC4R (0.44) ALDH1A1OPRM1GPR88KDM4EUSP2
SCHEMBL516778 0.74 HPGD (0.42) ALDH1A1GPR88MAPTCYP2D6
SCHEMBL516110 0.73 OPRM1 (0.43) ALDH1A1OPRM1OPRK1
SCHEMBL515694 0.73 ALDH1A1 (0.43) SLC6A2SLC6A4ALDH1A1OPRM1OPRK1
SCHEMBL515948 0.73 SLC6A2 (0.41) SLC6A2SLC6A4ALDH1A1OPRM1GPR88
SCHEMBL515952 0.73 POLB (0.43) SLC6A2SLC6A4OPRM1GPR88CYP2D6
SCHEMBL515702 0.72 TRPM8 (0.35) KDM4EUSP2

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 6 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 claimed
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 claimed
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 claimed
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
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

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 SLC6A2 3043/4885SLC6A4 3870/4885ALOX5 585/4885

“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.