SCHEMBL515733

SCHEMBL515733

NCC(c1ccccc1)C1(C(N)=O)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.41
GABBR1 Q9UBS5 2/20 0.41
TAAR1 Q96RJ0 3/20 0.38
HTR2A P28223 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.37
CYP2C19 P33261 2/20 0.36
SLC6A3 Q01959 3/20 0.36
DRD3 P35462 2/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
EDNRB P24530 1/20 0.36
MAPK1 P28482 1/20 0.36
MC4R P32245 1/20 0.36
MC3R P41968 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL30632554 0.86 ALDH1A1 (0.40) CYP2D6LMNAMEN1KMT2AALDH1A1
SCHEMBL18342994 0.83 ALDH1A1 (0.40) CYP2D6SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL5815457 0.81 CHRM2 (0.40) CYP2D6SLC6A3LMNAMEN1KMT2A
SCHEMBL515918 0.80 SLC6A4 (0.44) CYP2D6SMN1; SMN2SLC6A3MAPK1
SCHEMBL28899706 0.79 OPRM1 (0.43) ALDH1A1
SCHEMBL516716 0.78 LMNA (0.37) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL516114 0.78 SRC (0.41) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL29735511 0.78 GRIN2D (0.48) CYP2D6CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL17023938 0.73 GABBR2 (0.41) GABBR2GABBR1TAAR1HTR2ACYP2D6
SCHEMBL517632 0.72 ALOX5 (0.41) CYP2D6CYP1A2EPHX1SLC6A3LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GABBR2 545/4885GABBR1 626/4885TAAR1 158/4885

“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.