SCHEMBL516758

SCHEMBL516758

CCN(CC)C(=O)[C@@H]1CC[C@@H]1C(N)c1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
ALOX5 P09917 1/20 0.38
GPR88 Q9GZN0 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
AGTR2 P50052 1/20 0.32
KIF11 P52732 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL516132 0.82 CYP3A4 (0.52) GPR88CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL516570 0.80 ALOX5 (0.41) ALOX5CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL516145 0.78 SLC6A2 (0.39) SLC6A2SLC6A4ALOX5GPR88CYP2D6
SCHEMBL515699 0.77 SLC6A3 (0.40) SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL516778 0.77 HPGD (0.42) GPR88CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL516121 0.77 KDM4E (0.42) GPR88CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL515694 0.76 ALDH1A1 (0.43) SLC6A2SLC6A4CYP3A4CYP1A2CYP2D6
SCHEMBL515952 0.76 POLB (0.43) SLC6A2SLC6A4GPR88CYP3A4CYP1A2
SCHEMBL516110 0.76 OPRM1 (0.43) ALDH1A1
SCHEMBL515948 0.76 SLC6A2 (0.41) SLC6A2SLC6A4GPR88CYP3A4CYP1A2

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.