SCHEMBL3772347

SCHEMBL3772347

COC(=O)C1C2CCC(O2)C1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.47
SLC6A3 Q01959 5/20 0.47
PPM1B O75688 1/20 0.43
PTPN1 P18031 1/20 0.43
PPP1CC P36873 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.39

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
SCHEMBL3770081 0.85 MMP2 (0.48) CYP1A2CYP2C9CYP2C19TP53
SCHEMBL3770141 0.81 ALDH1A1 (0.43) SLC6A3CYP1A2CYP2C9CYP2C19
SCHEMBL3770265 0.80 ALDH1A1 (0.51) SLC6A4SLC6A3CYP1A2CYP2C9CYP2C19
SCHEMBL3783014 0.79 ALDH1A1 (0.39) CYP1A2CYP2C9CYP2C19
SCHEMBL3777053 0.79 ALDH1A1 (0.39) TP53
SCHEMBL3781291 0.77 ALDH1A1 (0.39)
SCHEMBL3785359 0.76 ALDH1A1 (0.46) CYP1A2CYP2C19
SCHEMBL3787457 0.74 MMP2 (0.44) CYP1A2CYP2C9CYP2C19
SCHEMBL3772459 0.72 CYP1A2 (0.45) SLC6A4CYP1A2CYP2C9CYP2C19
SCHEMBL3781516 0.72 KMT2A (0.46) SLC6A4CYP1A2CYP2C9CYP2C19

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-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-23 US disclosed
US-20090118519-A1 Production Method of Polycyclic Lactams SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-07 US disclosed
EP-2014647-A1 PROCESS FOR PRODUCING POLYCYCLIC LACTAM Sumitomo Chemical Company, Limited (JP) 2009-01-14 EP 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 (2 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-20090118519-A1 Production Method of Polycyclic Lactams MRPL21, COASY, ASNS SLC6A4 4573/4885SLC6A3 4368/4885PPM1B 3235/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS SLC6A4 4530/4885SLC6A3 4311/4885PPM1B 3169/4885

“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.