SCHEMBL4156124

SCHEMBL4156124

O=C(O)c1ccc2c([C@H]3CCCC[C@@H]3F)c3n(c2c1)CCN(CCN1CCOCC1)Cc1cc(F)ccc1-3

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.38
NAMPT P43490 1/20 0.34
PARP1 P09874 1/20 0.34
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
TSHR P16473 1/20 0.33
CNR1 P21554 1/20 0.33
NR1I2 O75469 1/20 0.33
CCR3 P51677 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CD274 Q9NZQ7 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
SCHEMBL4156129 1.00 CNR2 (0.38) CNR2NAMPTPARP1PRKCAMMP12
SCHEMBL4150441 0.94 CCR3 (0.34) NAMPTPRKCAMMP12NR1I2CCR3
SCHEMBL4150447 0.94 CCR3 (0.34) NAMPTPRKCAMMP12NR1I2CCR3
SCHEMBL4139268 0.94 CNR2 (0.38) CNR2NAMPTPARP1PRKCAMMP12
SCHEMBL4139270 0.94 CNR2 (0.38) CNR2NAMPTPARP1PRKCAMMP12
SCHEMBL4149257 0.92 CNR2 (0.37) CNR2PRKCAMMP12CNR1ALDH1A1
SCHEMBL4149254 0.92 CNR2 (0.37) CNR2PRKCAMMP12CNR1ALDH1A1
SCHEMBL4145806 0.91 PRKCA (0.38) CNR2PRKCAMMP12CNR1NR1I2
SCHEMBL4145802 0.91 PRKCA (0.38) CNR2PRKCAMMP12CNR1NR1I2
SCHEMBL4139150 0.89 CNR2 (0.39) CNR2TSHRCNR1ALDH1A1

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 CNR2 248/4885NAMPT 3111/4885PARP1 1193/4885

“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.