SCHEMBL4153077

SCHEMBL4153077

COc1ccc2c(c1)CN(CCN1CCCC1)CCn1c-2c([C@@H]2CCCC[C@H]2F)c2ccc(C(=O)O)cc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
KDM2B Q8NHM5 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
NR1I2 O75469 2/20 0.35
KCNH2 Q12809 5/20 0.34
CYP3A4 P08684 1/20 0.34
SCN5A Q14524 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL4153074 1.00 ESR1 (0.35) ESR1KDM2BMTNR1AMTNR1BNR1I2
SCHEMBL4139156 0.95 CNR2 (0.39) CYP3A4ALDH1A1CNR1CNR2
SCHEMBL4139150 0.95 CNR2 (0.39) CYP3A4ALDH1A1CNR1CNR2
SCHEMBL4157358 0.92 ALDH1A1 (0.38) MTNR1AMTNR1BALDH1A1LMNAMAPT
SCHEMBL4157356 0.92 ALDH1A1 (0.38) MTNR1AMTNR1BALDH1A1LMNAMAPT
SCHEMBL4152682 0.92 PRKCA (0.39) ESR1MTNR1AMTNR1BNR1I2KCNH2
SCHEMBL4149639 0.92 PRKCA (0.39) ESR1MTNR1AMTNR1BNR1I2KCNH2
SCHEMBL4152580 0.91 ALDH1A1 (0.37) KCNH2CYP3A4ALDH1A1LMNAPOLB
SCHEMBL4152577 0.91 ALDH1A1 (0.37) KCNH2CYP3A4ALDH1A1LMNAPOLB
SCHEMBL4145150 0.90 KCNH2 (0.35) ESR1MTNR1AMTNR1BNR1I2KCNH2

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 ESR1 2872/4885KDM2B 3436/4885MTNR1A 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.