SCHEMBL4150441

SCHEMBL4150441

O=C(O)c1ccc2c([C@H]3CCCC[C@@H]3F)c3n(c2c1)CCN(CCN1CCCC1)Cc1cc(F)ccc1-3

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.34
SIGMAR1 Q99720 3/20 0.33
HTR2C P28335 2/20 0.33
NR1I2 O75469 2/20 0.33
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NAMPT P43490 1/20 0.31
DPP4 P27487 2/20 0.31
FAP Q12884 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL4150447 1.00 CCR3 (0.34) CCR3SIGMAR1HTR2CNR1I2PRKCA
SCHEMBL4156129 0.94 CNR2 (0.38) CCR3NR1I2PRKCAMMP12NAMPT
SCHEMBL4156124 0.94 CNR2 (0.38) CCR3NR1I2PRKCAMMP12NAMPT
SCHEMBL4153105 0.93 CCR3 (0.34) CCR3SIGMAR1NR1I2PRKCAMMP12
SCHEMBL4153108 0.93 CCR3 (0.34) CCR3SIGMAR1NR1I2PRKCAMMP12
SCHEMBL4152321 0.91 KCNH2 (0.35) SIGMAR1HTR2CPRKCAMMP12HTR1A
SCHEMBL4152317 0.91 KCNH2 (0.35) SIGMAR1HTR2CPRKCAMMP12HTR1A
SCHEMBL4140597 0.91 PRKCA (0.40) CCR3HTR2CNR1I2PRKCAMMP12
SCHEMBL4140592 0.91 PRKCA (0.40) CCR3HTR2CNR1I2PRKCAMMP12
SCHEMBL4157786 0.90 PRKCA (0.38) SIGMAR1PRKCAMMP12HRH1

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 CCR3 135/4885SIGMAR1 883/4885HTR2C 61/4885

“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.