SCHEMBL4152580

SCHEMBL4152580

CCCOc1ccc2c(c1)CN(CCN1CCCC1)CCn1c-2c([C@@H]2CCCC[C@H]2F)c2ccc(C(=O)O)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
THRB P10828 5/20 0.37
MAPT P10636 3/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 4/20 0.35
THRA P10827 2/20 0.35
LMNA P02545 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
HRH4 Q9H3N8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD4 P21917 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A2 P23975 1/20 0.34
HRH2 P25021 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
SCHEMBL4152577 1.00 ALDH1A1 (0.37) ALDH1A1THRBMAPTTSHRKDM4E
SCHEMBL4153607 0.95 MAPT (0.39) ALDH1A1THRBMAPTKDM4ETHRA
SCHEMBL4153609 0.95 MAPT (0.39) ALDH1A1THRBMAPTKDM4ETHRA
SCHEMBL4157356 0.94 ALDH1A1 (0.38) ALDH1A1MAPTTSHRKDM4ELMNA
SCHEMBL4157358 0.94 ALDH1A1 (0.38) ALDH1A1MAPTTSHRKDM4ELMNA
SCHEMBL4146359 0.92 PRKCA (0.37) ALDH1A1THRBMAPTTSHRKDM4E
SCHEMBL4146357 0.92 PRKCA (0.37) ALDH1A1THRBMAPTTSHRKDM4E
SCHEMBL4143052 0.91 KMT2A (0.34) ALDH1A1THRBMAPTKDM4ETHRA
SCHEMBL4143053 0.91 KMT2A (0.34) ALDH1A1THRBMAPTKDM4ETHRA
SCHEMBL4153077 0.91 ESR1 (0.35) ALDH1A1MAPTLMNAKCNH2CYP3A4

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 754/4885THRB 439/4885MAPT 2169/4885

“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.