SCHEMBL3092115

SCHEMBL3092115

CN(C)CCN1CCn2c(cc3ccc(C(N)=O)cc32)-c2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 4/20 0.42
RPS6KA2 Q15349 10/20 0.42
HTR1A P08908 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 4/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3087058 0.91 RPS6KA2 (0.41) RPS6KA3RPS6KA2SIGMAR1ALDH1A1CYP1A2
SCHEMBL50820 0.80 RPS6KA3 (0.49) RPS6KA3RPS6KA2ALDH1A1MEN1KMT2A
SCHEMBL3085393 0.74 PARP1 (0.45) RPS6KA3RPS6KA2SIGMAR1ALDH1A1
SCHEMBL3088133 0.73 RPS6KA3 (0.54) RPS6KA3RPS6KA2HTR2A
Trifluoroacetic Acid SCHEMBL4153237 0.71 PRKCA (0.39)
Trifluoroacetic Acid SCHEMBL4153234 0.71 PRKCA (0.39)
SCHEMBL896122 0.69 PRKCA (0.57) SIGMAR1
SCHEMBL896350 0.69 PRKCA (0.58) ALDH1A1KMT2A
SCHEMBL4831402 0.69 RPS6KA3 (0.59) RPS6KA3RPS6KA2
Hydrochloric Acid SCHEMBL3085990 0.68 PRKCA (0.57) ALDH1A1KMT2A

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 RPS6KA3 1950/4885RPS6KA2 2765/4885HTR1A 41/4885

“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.