SCHEMBL4157359

SCHEMBL4157359

CCOc1ccc2c(c1)CN(CCN(CC)CC)CCn1c-2c([C@H]2CCCC[C@@H]2F)c2ccc(C(=O)O)cc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.35
MTNR1B P49286 7/20 0.35
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
CNR2 P34972 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30

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
SCHEMBL4157361 1.00 MTNR1A (0.35) MTNR1AMTNR1BPRKCAMMP12CNR2
SCHEMBL4145150 0.94 KCNH2 (0.35) MTNR1AMTNR1BPRKCAMMP12
SCHEMBL4145154 0.94 KCNH2 (0.35) MTNR1AMTNR1BPRKCAMMP12
SCHEMBL4156042 0.94 PRKCA (0.38) MTNR1AMTNR1BPRKCAMMP12PRMT5
SCHEMBL4156040 0.94 PRKCA (0.38) MTNR1AMTNR1BPRKCAMMP12PRMT5
SCHEMBL4149818 0.93 GHSR (0.38) PRKCAMMP12CNR2KDM4EALDH1A1
SCHEMBL4149821 0.93 GHSR (0.38) PRKCAMMP12CNR2KDM4EALDH1A1
SCHEMBL4157358 0.91 ALDH1A1 (0.38) MTNR1AMTNR1BCNR2PRMT5WDR77
SCHEMBL4157356 0.91 ALDH1A1 (0.38) MTNR1AMTNR1BCNR2PRMT5WDR77
SCHEMBL4151954 0.91 PRMT5 (0.33) PRKCAMMP12PRMT5WDR77

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-05-28 US claimed

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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 MTNR1A 45/4885MTNR1B 139/4885PRKCA 4320/4885

“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.