SCHEMBL516129

SCHEMBL516129

CCNC(=O)[C@@H]1CC[C@@H]1C(N)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.56
TSHR P16473 6/20 0.56
CYP2D6 P10635 5/20 0.56
CYP1A2 P05177 3/20 0.56
MAPK1 P28482 2/20 0.56
HSD17B10 Q99714 1/20 0.56
TAAR1 Q96RJ0 1/20 0.44
CYP2C9 P11712 5/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
OPRD1 P41143 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL516715 0.81 CYP2D6 (0.58) CYP3A4TSHRCYP2D6CYP1A2MAPK1
SCHEMBL516132 0.78 CYP3A4 (0.52) CYP3A4TSHRCYP2D6CYP1A2MAPK1
SCHEMBL515685 0.72 CYP3A4 (0.46) CYP3A4TSHRCYP2D6CYP1A2MAPK1
SCHEMBL14072909 0.72 EPHX1 (0.49) TAAR1KMT2A
SCHEMBL14072886 0.72 EPHX1 (0.49) TAAR1KMT2A
SCHEMBL14760360 0.71 CYP3A4 (0.58) CYP3A4TSHRCYP2D6CYP1A2MAPK1
SCHEMBL515667 0.70 CYP1A2 (0.47) CYP3A4TSHRCYP2D6CYP1A2MAPK1
SCHEMBL535128 0.70 CYP3A4 (0.43) CYP3A4TSHRCYP2D6CYP1A2MAPK1
SCHEMBL24540457 0.69 TRPM8 (0.48) CYP3A4TSHRCYP2D6CYP1A2MAPK1
SCHEMBL19058567 0.69 TRPM8 (0.48) CYP3A4TSHRCYP2D6CYP1A2MAPK1

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 CYP3A4 227/4885TSHR 550/4885CYP2D6 38/4885

“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.