SCHEMBL516121

SCHEMBL516121

CCN(CC)C(=O)[C@@H]1CC[C@@H]1C(N)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.42
DPP4 P27487 4/20 0.35
DPP7 Q9UHL4 3/20 0.35
DPP9 Q86TI2 2/20 0.35
GPR88 Q9GZN0 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
NPY2R P49146 1/20 0.35
DPP8 Q6V1X1 2/20 0.33
CCR5 P51681 1/20 0.33
CYP3A4 P08684 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL515694 0.84 ALDH1A1 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL515699 0.83 SLC6A3 (0.40) LMNATSHR
SCHEMBL516110 0.82 OPRM1 (0.43)
SCHEMBL515952 0.82 POLB (0.43) GPR88CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL516132 0.81 CYP3A4 (0.52) KDM4EGPR88MEN1KMT2ACYP3A4
SCHEMBL516778 0.81 HPGD (0.42) GPR88MEN1KMT2ACCR5CYP3A4
SCHEMBL515672 0.80 KDM4E (0.44) KDM4ERAB9AMEN1KMT2ACYP3A4
SCHEMBL515735 0.79 MC4R (0.44) KDM4EDPP4DPP7GPR88MEN1
SCHEMBL516182 0.78 L3MBTL1 (0.43) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL516137 0.77 GPR88 (0.39) DPP4DPP7DPP9GPR88KMT2A

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 KDM4E 4688/4885RAB9A 3408/4885DPP4 4738/4885

“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.