SCHEMBL3097509

SCHEMBL3097509

CN1CCN(CC(=O)N2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(F)cc3C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.42
SIGMAR1 Q99720 4/20 0.41
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CCR6 P51684 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN9A Q15858 2/20 0.38
CCR3 P51677 2/20 0.35
KDR P35968 1/20 0.35
NPY5R Q15761 1/20 0.35

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
SCHEMBL3086408 0.87 PRKCA (0.46) NR1I2PRKCAMMP12KDM4ESCN9A
SCHEMBL3080316 0.85 PRKCA (0.37) NR1I2SIGMAR1PRKCAMMP12SCN9A
SCHEMBL3088482 0.84 PRKCA (0.50) NR1I2PRKCAMMP12SCN9ACCR3
SCHEMBL3088322 0.83 NR1I2 (0.41) NR1I2PRKCAMMP12SCN9ACCR3
SCHEMBL12427739 0.81 PRKCA (0.42) NR1I2SIGMAR1PRKCAMMP12SCN9A
SCHEMBL3073381 0.79 NR1I2 (0.42) NR1I2PRKCAMMP12SCN9A
SCHEMBL10283615 0.78 NR1I2 (0.43) NR1I2PRKCAMMP12SCN9A
SCHEMBL12427684 0.78 CHRM2 (0.44) NR1I2SIGMAR1PRKCAMMP12LMNA
SCHEMBL3088636 0.78 NR1I2 (0.38) NR1I2SIGMAR1LMNAKDM4EALDH1A1
SCHEMBL4148812 0.78 NR1I2 (0.37) NR1I2PRKCAMMP12KMT2ASCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 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-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 NR1I2 144/4885SIGMAR1 257/4885PRKCA 3874/4885

“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.