SCHEMBL516554

SCHEMBL516554

COc1cccc(C(N)C2CCC2C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
SLC9A1 P19634 1/20 0.43
PARP1 P09874 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.43
ROCK2 O75116 3/20 0.42
PRKG1 Q13976 2/20 0.42
AOC3 Q16853 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL516182 0.83 L3MBTL1 (0.43) L3MBTL1MAPK1CYP3A4CYP1A2CYP2D6
SCHEMBL516115 0.80 OPRL1 (0.47) MAPK1CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL516715 0.78 CYP2D6 (0.58) MAPK1CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL16320729 0.75 AOC3 (0.46) L3MBTL1MAPK1CYP3A4POLBAOC3
SCHEMBL516755 0.72 SLC6A3 (0.41)
SCHEMBL6390839 0.72 L3MBTL1 (0.60) L3MBTL1POLBPARP1TRPM8AOC3
SCHEMBL30997748 0.71 SLC9A1 (0.73) L3MBTL1MAPK1TSHRHSD17B10SLC9A1
SCHEMBL515991 0.70 CYP3A4 (0.41) MAPK1CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL516128 0.69 EDNRA (0.44) MAPK1MEN1ALDH1A1KMT2A
SCHEMBL2404817 0.69 L3MBTL1 (0.53) L3MBTL1POLBOPRM1OPRK1KCNH2

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 L3MBTL1 4386/4885MAPK1 997/4885CYP3A4 227/4885

“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.