SCHEMBL3087058

SCHEMBL3087058

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 6/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
RPS6KA3 P51812 2/20 0.38
PTGER4 P35408 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
CSNK2A1 P68400 1/20 0.36
PRKCA P17252 1/20 0.35
MMP12 P39900 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
SCHEMBL3092115 0.91 RPS6KA3 (0.42) RPS6KA2ALDH1A1CYP1A2POLBRPS6KA3
SCHEMBL896122 0.77 PRKCA (0.57) PTGER4SIGMAR1CSNK2A1PRKCAMMP12
SCHEMBL896350 0.77 PRKCA (0.58) ALDH1A1CSNK2A1PRKCAMMP12
SCHEMBL3574670 0.76 SRD5A2 (0.50) RPS6KA2ALDH1A1RPS6KA3
Hydrochloric Acid SCHEMBL3085990 0.76 PRKCA (0.57) ALDH1A1CSNK2A1PRKCAMMP12
SCHEMBL3092044 0.73 RPS6KA2 (0.43) RPS6KA2RPS6KA3
SCHEMBL3089903 0.70 RPS6KA2 (0.44) RPS6KA2RPS6KA3
SCHEMBL3073902 0.70 RPS6KA2 (0.41) RPS6KA2ALDH1A1POLBRPS6KA3
SCHEMBL50820 0.69 RPS6KA3 (0.49) RPS6KA2ALDH1A1RPS6KA3
SCHEMBL4144644 0.68 RPS6KA2 (0.47) RPS6KA2RPS6KA3

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 RPS6KA2 2765/4885ALDH1A1 634/4885CYP1A2 104/4885

“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.