SCHEMBL515992

SCHEMBL515992

NC(=O)C1(C(N)c2ccc(F)cc2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
KCNN4 O15554 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL516716 0.83 LMNA (0.37) LMNASMN1; SMN2
SCHEMBL6457653 0.78 HSD11B1 (0.39) HSD11B1ALDH1A1
SCHEMBL6922904 0.78 HSD11B1 (0.39) HSD11B1ALDH1A1
SCHEMBL6462324 0.78 HSD11B1 (0.39) HSD11B1ALDH1A1
SCHEMBL516756 0.76 SLC6A3 (0.39) ALDH1A1LMNASMN1; SMN2
SCHEMBL516571 0.74 ALOX5 (0.42)
SCHEMBL516116 0.72 PARP1 (0.40)
SCHEMBL17684196 0.72 SLC6A2 (0.46) HSD11B1
SCHEMBL24742780 0.71 OPRM1 (0.39) HSD11B1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29157523 0.71 OPRM1 (0.39) HSD11B1HDAC3HDAC4HDAC1HDAC7

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 HSD11B1 102/4885ALDH1A1 1461/4885HDAC3 3675/4885

“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.