SCHEMBL1810588

SCHEMBL1810588

CNCCNC(C)(C)CN

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32

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
SCHEMBL7035084 0.78
SCHEMBL11184471 0.76
SCHEMBL19491722 0.76 EPHX1 (0.32)
SCHEMBL25476008 0.75
SCHEMBL18458272 0.75
SCHEMBL14917578 0.75 CYP2D6 (0.37) CYP2D6
SCHEMBL11231661 0.74
SCHEMBL1742798 0.74
SCHEMBL8352271 0.74 CA12 (0.39) CYP2D6
SCHEMBL10918102 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310396-B1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2017-09-06 EP disclosed
WO-2017120536-A1 POLYETHYLENIMINE (PEI)-POLYPEPTIDE CONJUGATES AND METHODS OF USE THEREOF APG THERAPEUTICS, INC. (US) 2017-07-13 WO disclosed
US-9427440-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-08-30 US disclosed
US-8921355-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN R & D IRELAND (IE) 2014-12-30 US disclosed
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors JANSSEN R&D IRELAND (IL) 2014-04-17 US disclosed
US-20110105473-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-05-05 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 (2 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-20110105473-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS IDO1, HCCS, CCNI CYP2D6 65/4885
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors IDO1, HCCS, CCNI CYP2D6 65/4885

“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.