SCHEMBL4152873

SCHEMBL4152873

CC(C)N1CCn2c(c([C@@H]3CCCC[C@H]3F)c3ccc(C(=O)O)cc32)-c2ccc(F)cc2C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 4/20 0.33
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
NAMPT P43490 1/20 0.31
AKR1C3 P42330 1/20 0.30
DPP4 P27487 3/20 0.30
FAP Q12884 2/20 0.30
MAPK14 Q16539 2/20 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
SCHEMBL4152870 1.00 NR1I2 (0.33) NR1I2PRKCAMMP12SIGMAR1NAMPT
SCHEMBL4161811 0.93 PRKCA (0.33) NR1I2PRKCAMMP12SIGMAR1NAMPT
SCHEMBL4161812 0.93 PRKCA (0.33) NR1I2PRKCAMMP12SIGMAR1NAMPT
SCHEMBL4144236 0.90 PRKCA (0.38) NR1I2PRKCAMMP12SIGMAR1
SCHEMBL4144232 0.90 PRKCA (0.38) NR1I2PRKCAMMP12SIGMAR1
SCHEMBL4148776 0.90 KCNH2 (0.36) NR1I2AKR1C3
SCHEMBL4148779 0.90 KCNH2 (0.36) NR1I2AKR1C3
SCHEMBL4148815 0.89 NR1I2 (0.37) NR1I2PRKCAMMP12NAMPTAKR1C3
SCHEMBL4148812 0.89 NR1I2 (0.37) NR1I2PRKCAMMP12NAMPTAKR1C3
SCHEMBL4159480 0.87 MTNR1A (0.35) PRKCAMMP12

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

“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.