SCHEMBL4145802

SCHEMBL4145802

O=C(O)c1ccc2c([C@H]3CCCC[C@@H]3F)c3n(c2c1)CCN(CCN1CCOCC1)Cc1ccccc1-3

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
NR1I2 O75469 1/20 0.36
PTGER4 P35408 1/20 0.35
CNR2 P34972 4/20 0.35
CNR1 P21554 2/20 0.34
CASR P41180 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL4145806 1.00 PRKCA (0.38) PRKCAMMP12NR1I2PTGER4CNR2
SCHEMBL4157782 0.94 PRKCA (0.38) PRKCAMMP12PTGER4ALDH1A1KMT2A
SCHEMBL4157786 0.94 PRKCA (0.38) PRKCAMMP12PTGER4ALDH1A1KMT2A
SCHEMBL4139270 0.91 CNR2 (0.38) PRKCAMMP12NR1I2CNR2CNR1
SCHEMBL4156129 0.91 CNR2 (0.38) PRKCAMMP12NR1I2CNR2CNR1
SCHEMBL4139268 0.91 CNR2 (0.38) PRKCAMMP12NR1I2CNR2CNR1
SCHEMBL4156124 0.91 CNR2 (0.38) PRKCAMMP12NR1I2CNR2CNR1
SCHEMBL4149254 0.90 CNR2 (0.37) PRKCAMMP12CNR2CNR1ALDH1A1
SCHEMBL4149257 0.90 CNR2 (0.37) PRKCAMMP12CNR2CNR1ALDH1A1
SCHEMBL895934 0.88 PRKCA (0.49) PRKCAMMP12NR1I2PTGER4CNR2

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 PRKCA 4320/4885MMP12 3563/4885NR1I2 268/4885

“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.