SCHEMBL4144236

SCHEMBL4144236

CC(C)N1CCn2c(c([C@@H]3CCCC[C@H]3F)c3ccc(C(=O)O)cc32)-c2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
NR1I2 O75469 1/20 0.32
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SRD5A2 P31213 2/20 0.31
SRD5A1 P18405 1/20 0.31
SCN9A Q15858 1/20 0.31
MTNR1A P48039 6/20 0.30
MTNR1B P49286 6/20 0.30
TAS2R14 Q9NYV8 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL4144232 1.00 PRKCA (0.38) PRKCAMMP12NR1I2KCNH2HRH3
SCHEMBL4152873 0.90 NR1I2 (0.33) PRKCAMMP12NR1I2SIGMAR1
SCHEMBL4152870 0.90 NR1I2 (0.33) PRKCAMMP12NR1I2SIGMAR1
SCHEMBL4161811 0.90 PRKCA (0.33) PRKCAMMP12NR1I2SIGMAR1
SCHEMBL4161812 0.90 PRKCA (0.33) PRKCAMMP12NR1I2SIGMAR1
SCHEMBL4139304 0.89 PRKCA (0.40) PRKCAMMP12NR1I2SRD5A2SRD5A1
SCHEMBL4139308 0.89 PRKCA (0.40) PRKCAMMP12NR1I2SRD5A2SRD5A1
SCHEMBL4148779 0.88 KCNH2 (0.36) NR1I2KCNH2MTNR1AMTNR1BTAS2R14
SCHEMBL4148776 0.88 KCNH2 (0.36) NR1I2KCNH2MTNR1AMTNR1BTAS2R14
SCHEMBL4143938 0.86 HRH3 (0.41) HRH3

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.