SCHEMBL4148779

SCHEMBL4148779

COc1ccc2c(c1)CN(C(C)C)CCn1c-2c([C@@H]2CCCC[C@H]2F)c2ccc(C(=O)O)cc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.36
KDM2B Q8NHM5 1/20 0.36
NR1I2 O75469 4/20 0.36
AKR1C3 P42330 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
CYP3A4 P08684 1/20 0.33
SCN5A Q14524 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
SCHEMBL4148776 1.00 KCNH2 (0.36) KCNH2KDM2BNR1I2AKR1C3TAS2R14
SCHEMBL4159480 0.92 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL4159482 0.92 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL4148306 0.90 HRH3 (0.34)
SCHEMBL4148304 0.90 HRH3 (0.34)
SCHEMBL4152873 0.90 NR1I2 (0.33) NR1I2AKR1C3
SCHEMBL4152870 0.90 NR1I2 (0.33) NR1I2AKR1C3
SCHEMBL4144273 0.90 KCNH2 (0.37) KCNH2NR1I2AKR1C3TAS2R14MTNR1A
SCHEMBL4144274 0.90 KCNH2 (0.37) KCNH2NR1I2AKR1C3TAS2R14MTNR1A
SCHEMBL4143938 0.89 HRH3 (0.41)

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 disclosed

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 KCNH2 1467/4885KDM2B 3436/4885NR1I2 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.