SCHEMBL4143069

SCHEMBL4143069

CCOc1ccc2c(c1)CN(CCN1CCOCC1)CCn1c-2c([C@@H]2CCCC[C@H]2F)c2ccc(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.34
CFTR P13569 1/20 0.34
KMT2A Q03164 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
GOPC Q9HD26 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 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
SCHEMBL4143066 1.00 MTNR1A (0.37) MTNR1AMTNR1BOPRM1OPRD1OPRK1
SCHEMBL4157358 0.95 ALDH1A1 (0.38) MTNR1AMTNR1BOPRM1KDM4EHTT
SCHEMBL4157356 0.95 ALDH1A1 (0.38) MTNR1AMTNR1BOPRM1KDM4EHTT
SCHEMBL4153609 0.94 MAPT (0.39) OPRM1OPRD1OPRK1KDM4EALDH1A1
SCHEMBL4153607 0.94 MAPT (0.39) OPRM1OPRD1OPRK1KDM4EALDH1A1
SCHEMBL4139150 0.93 CNR2 (0.39) OPRM1OPRD1OPRK1ALDH1A1CNR1
SCHEMBL4139156 0.93 CNR2 (0.39) OPRM1OPRD1OPRK1ALDH1A1CNR1
SCHEMBL4139872 0.92 OPRM1 (0.36) OPRM1OPRD1OPRK1CNR1CNR2
SCHEMBL4139869 0.92 OPRM1 (0.36) OPRM1OPRD1OPRK1CNR1CNR2
SCHEMBL4156042 0.90 PRKCA (0.38) MTNR1AMTNR1BKDM4EALDH1A1

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 139/4885OPRM1 411/4885

“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.