SCHEMBL377245

SCHEMBL377245

CCCCCNC(=O)[C]1CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.54
NAAA Q02083 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
CASP2 P42575 1/20 0.48
HPGD P15428 2/20 0.46
GPR84 Q9NQS5 1/20 0.46
MLYCD O95822 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL20550286 0.85
SCHEMBL31467551 0.78 EPHX1 (0.64) EPHX1NAAAL3MBTL1HTTCASP2
SCHEMBL9979205 0.75 SMN1; SMN2 (0.70) EPHX1NAAAL3MBTL1TSHRHTT
SCHEMBL17580836 0.75 NAAA (0.54) EPHX1NAAAL3MBTL1TSHRHTT
SCHEMBL20550568 0.75
SCHEMBL11759620 0.74 NAAA (0.49) EPHX1NAAAL3MBTL1HPGD
SCHEMBL6437809 0.73 NAAA (0.71) EPHX1NAAAL3MBTL1GPR84MLYCD
SCHEMBL14816297 0.73 NAAA (0.66) EPHX1NAAAL3MBTL1TSHRHTT
SCHEMBL6535660 0.73 L3MBTL1 (0.86) NAAAL3MBTL1MLYCDALDH1A1SMN1; SMN2
SCHEMBL9979317 0.73 NAAA (0.71) EPHX1NAAAL3MBTL1GPR84MLYCD

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
EP-2408300-B1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO LTD (CN) 2016-05-11 EP disclosed
US-8232294-B2 Amino ester derivatives, sailts thereof and methods of use Xi, Ning (US) 2012-07-31 US disclosed
EP-2408300-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE Sunshine Lake Pharma Co., Ltd (CN) 2012-01-25 EP disclosed
WO-2010111063-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE XI NING (US) 2010-09-30 WO disclosed
US-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2010-09-23 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-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SRC, BCAT1, BCAT2 EPHX1 1491/4885NAAA 2407/4885L3MBTL1 1430/4885

“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.