SCHEMBL516114

SCHEMBL516114

NC(=O)C1(C(O)c2ccccc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
LMNA P02545 5/20 0.39
MAPK1 P28482 2/20 0.39
BCAT2 O15382 1/20 0.39
HPGD P15428 1/20 0.37
CYP2D6 P10635 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
EPHX1 P07099 2/20 0.36
CYP1A2 P05177 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP2C19 P33261 2/20 0.36
CTSD P07339 1/20 0.35
AKR1C1 Q04828 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
EDNRB P24530 1/20 0.35
MC4R P32245 1/20 0.35

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 0.82 LMNA (0.37) SRCLMNAMAPK1HPGDCYP2D6
SCHEMBL515733 0.78 GABBR2 (0.41) LMNAMAPK1BCAT2CYP2D6EPHX1
SCHEMBL15106438 0.77 SRC (0.46) SRCLMNAMAPK1HPGDCYP2D6
SCHEMBL30632554 0.77 ALDH1A1 (0.40) LMNAHPGDCYP2D6
SCHEMBL517632 0.76 ALOX5 (0.41) LMNAHPGDCYP2D6EPHX1CYP1A2
SCHEMBL18342994 0.73 ALDH1A1 (0.40) LMNACYP2D6SMN1; SMN2
SCHEMBL28318116 0.73 ALOX5 (0.44) LMNAHPGDCYP2D6ALOX5
SCHEMBL27932361 0.73 ALOX5 (0.44) LMNAHPGDCYP2D6ALOX5
SCHEMBL5678119 0.72 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C19SLC6A3
SCHEMBL30851542 0.72 CNR2 (0.39) LMNAHPGDCYP2D6CYP1A2SMN1; SMN2

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 SRC 2640/4885LMNA 2510/4885MAPK1 997/4885

“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.