SCHEMBL4157356

SCHEMBL4157356

CCOc1ccc2c(c1)CN(CCN1CCCC1)CCn1c-2c([C@H]2CCCC[C@@H]2F)c2ccc(C(=O)O)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
TP53 P04637 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GLA P06280 1/20 0.35
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
BCHE P06276 1/20 0.33
CNR2 P34972 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL4157358 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EMTNR1AMTNR1BTP53
SCHEMBL4143069 0.95 MTNR1A (0.37) ALDH1A1KDM4EMTNR1AMTNR1BL3MBTL1
SCHEMBL4143066 0.95 MTNR1A (0.37) ALDH1A1KDM4EMTNR1AMTNR1BL3MBTL1
SCHEMBL4152580 0.94 ALDH1A1 (0.37) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL4152577 0.94 ALDH1A1 (0.37) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL4153074 0.92 ESR1 (0.35) ALDH1A1MTNR1AMTNR1BLMNAMAPT
SCHEMBL4153077 0.92 ESR1 (0.35) ALDH1A1MTNR1AMTNR1BLMNAMAPT
SCHEMBL4156042 0.92 PRKCA (0.38) ALDH1A1KDM4EMTNR1AMTNR1BTP53
SCHEMBL4156040 0.92 PRKCA (0.38) ALDH1A1KDM4EMTNR1AMTNR1BTP53
SCHEMBL4139777 0.92 CPT2 (0.34) CPT2CPT1AOPRM1PRMT5WDR77

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 ALDH1A1 754/4885KDM4E 2269/4885MTNR1A 45/4885

“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.