SCHEMBL516128

SCHEMBL516128

NC(=O)C1CCC1C(N)c1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK9 P45984 1/20 0.40
LMNA P02545 1/20 0.40
SMAD3 P84022 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
P4HB P07237 2/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL515672 0.82 KDM4E (0.44) HPGDNPSR1KMT2AMEN1
SCHEMBL516755 0.76 SLC6A3 (0.41) LMNA
SCHEMBL12261675 0.75 SLC6A4 (0.46) EDNRAHPGDSMAD3KMT2AMAPK1
SCHEMBL515991 0.74 CYP3A4 (0.41) MAPK1
SCHEMBL516715 0.73 CYP2D6 (0.58) KMT2AMAPK1MEN1
SCHEMBL1238797 0.71 HPGD (0.44) HPGDALDH1A1KMT2AMAPK1MEN1
SCHEMBL7684418 0.70 MAPK9 (0.55) EDNRAHPGDALDH1A1MAPK9KMT2A
SCHEMBL17761560 0.70 MAPT (0.59) HPGDALDH1A1NPSR1MAPK9KMT2A
SCHEMBL516554 0.69 L3MBTL1 (0.49) ALDH1A1KMT2AMAPK1MEN1
SCHEMBL7289763 0.69 EDNRA (0.51) EDNRAHPGDALDH1A1MAPK9KMT2A

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 EDNRA 1066/4885HPGD 966/4885ALDH1A1 1461/4885

“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.