SCHEMBL4153607

SCHEMBL4153607

CCCOc1ccc2c(c1)CN(CCN1CCOCC1)CCn1c-2c([C@H]2CCCC[C@@H]2F)c2ccc(C(=O)O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
THRB P10828 3/20 0.37
THRA P10827 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KDM4E B2RXH2 1/20 0.36
JAK2 O60674 1/20 0.36
TP53 P04637 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL4153609 1.00 MAPT (0.39) MAPTTHRBTHRAALDH1A1LMNA
SCHEMBL4152580 0.95 ALDH1A1 (0.37) MAPTTHRBTHRAALDH1A1LMNA
SCHEMBL4152577 0.95 ALDH1A1 (0.37) MAPTTHRBTHRAALDH1A1LMNA
SCHEMBL4143069 0.94 MTNR1A (0.37) MAPTALDH1A1KMT2AKDM4EOPRM1
SCHEMBL4143066 0.94 MTNR1A (0.37) MAPTALDH1A1KMT2AKDM4EOPRM1
SCHEMBL4139156 0.92 CNR2 (0.39) ALDH1A1TP53OPRM1OPRD1OPRK1
SCHEMBL4139150 0.92 CNR2 (0.39) ALDH1A1TP53OPRM1OPRD1OPRK1
SCHEMBL4139869 0.91 OPRM1 (0.36) HRH3OPRM1OPRD1OPRK1CNR1
SCHEMBL4139872 0.91 OPRM1 (0.36) HRH3OPRM1OPRD1OPRK1CNR1
SCHEMBL4146359 0.90 PRKCA (0.37) MAPTTHRBALDH1A1LMNAKMT2A

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 MAPT 2169/4885THRB 439/4885THRA 308/4885

“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.