SCHEMBL516130

SCHEMBL516130

CCNC(=O)C1(C(N)c2ccccc2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
MME P08473 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
OPRD1 P41143 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCAT2 O15382 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 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
SCHEMBL516134 0.77 SMN1; SMN2 (0.47) SMN1; SMN2
SCHEMBL516716 0.77 LMNA (0.37) PKMLMNAHPGDSMN1; SMN2
SCHEMBL9486483 0.73 AKR1C1 (0.43) MEN1KMT2AGAA
SCHEMBL29051876 0.72 KMT2A (0.40) KMT2ALMNAHPGDALDH1A1TSHR
SCHEMBL515687 0.71 SMN1; SMN2 (0.38) OPRD1ALDH1A1SMN1; SMN2
SCHEMBL20060916 0.71 SMN1; SMN2 (0.65) PKMMEN1KMT2AOPRM1OPRL1
SCHEMBL14760363 0.71 SMN1; SMN2 (0.49) SMN1; SMN2
SCHEMBL30632554 0.69 ALDH1A1 (0.40) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL515669 0.69 SLC6A2 (0.40) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL4838617 0.68 PKM (0.57) PKMMEN1KMT2AMTNR1AMTNR1B

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 3 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
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 PKM 1781/4885MEN1 668/4885KMT2A 4114/4885

“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.