SCHEMBL4145902

SCHEMBL4145902

CN(C)CCN1CCn2c(c([C@@H]3CCCC[C@H]3F)c3ccc(C(=O)O)cc32)-c2cc(F)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
ACKR3 P25106 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CCR3 P51677 5/20 0.32
GLP1R P43220 1/20 0.32
NR1I2 O75469 2/20 0.32
CCR5 P51681 1/20 0.31
HRH2 P25021 1/20 0.30
DRD2 P14416 2/20 0.30
HTR2A P28223 2/20 0.30
HTR7 P34969 2/20 0.30
KCNH2 Q12809 1/20 0.30
DPP4 P27487 2/20 0.30
FAP Q12884 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL4145900 1.00 PRKCA (0.40) PRKCAMMP12ACKR3CSNK2A1CCR3
SCHEMBL4140597 0.94 PRKCA (0.40) PRKCAMMP12ACKR3CSNK2A1CCR3
SCHEMBL4140592 0.94 PRKCA (0.40) PRKCAMMP12ACKR3CSNK2A1CCR3
SCHEMBL4159248 0.92 PRKCA (0.35) PRKCAMMP12CCR3NR1I2DRD2
SCHEMBL4159247 0.92 PRKCA (0.35) PRKCAMMP12CCR3NR1I2DRD2
SCHEMBL4153105 0.91 CCR3 (0.34) PRKCAMMP12CCR3NR1I2HTR2A
SCHEMBL4153108 0.91 CCR3 (0.34) PRKCAMMP12CCR3NR1I2HTR2A
SCHEMBL4139268 0.88 CNR2 (0.38) PRKCAMMP12CCR3NR1I2
SCHEMBL4139270 0.88 CNR2 (0.38) PRKCAMMP12CCR3NR1I2
SCHEMBL4152401 0.88 PRKCA (0.40) PRKCAMMP12CSNK2A1

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 3563/4885ACKR3 228/4885

“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.