SCHEMBL3080110

SCHEMBL3080110

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCC(OCCN1CCCC1)Cc1ccccc1-3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.45
MMP12 P39900 1/20 0.45
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 7/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
NR1I2 O75469 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LTA4H P09960 1/20 0.34
PKM P14618 1/20 0.34
PSMB1 P20618 1/20 0.34
MCHR1 Q99705 2/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL3567161 0.93 PRKCA (0.49) PRKCAMMP12SCN9AKDM4ESMN1; SMN2
SCHEMBL3569883 0.86 PRKCA (0.47) PRKCAMMP12SCN9AKDM4ESMN1; SMN2
SCHEMBL3092706 0.83 PRKCA (0.46) PRKCAMMP12SCN9AKDM4ESMN1; SMN2
SCHEMBL4920282 0.82 PRKCA (0.43) PRKCAMMP12SCN9AESR1ESR2
SCHEMBL772130 0.81 PRKCA (0.53) PRKCAMMP12SCN9ANR1I2
SCHEMBL3569335 0.80 PRKCA (0.40) PRKCAMMP12SCN9AESR1ESR2
SCHEMBL773872 0.79 PRKCA (0.53) PRKCAMMP12SCN9ANR1I2
SCHEMBL4916577 0.79 PRKCA (0.53) PRKCAMMP12SCN9ALMNANR1I2
SCHEMBL878127 0.78 PRKCA (0.46) PRKCAMMP12SCN9AKDM4ENR1I2
Trifluoroacetic Acid SCHEMBL3097978 0.78 PRKCA (0.60) PRKCAMMP12SCN9AKDM4ESMN1; SMN2

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 PRKCA 3874/4885MMP12 3319/4885SCN9A 3788/4885

“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.