SCHEMBL1957388

SCHEMBL1957388

CNCCCCN(C)C(=O)COc1ccccc1-c1c(C2CCCCC2)c2ccc(C(=O)OC)cc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
SCN9A Q15858 6/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP3A4 P08684 4/20 0.35
CYP2C19 P33261 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2D6 P10635 1/20 0.35
RXRA P19793 1/20 0.34
NR1I2 O75469 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CTSG P08311 1/20 0.33
MAOA P21397 1/20 0.33
DRD1 P21728 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL1956905 0.91 PRKCA (0.39) PRKCAMMP12SCN9AHDAC1HDAC8
SCHEMBL1956164 0.89 SCN9A (0.41) PRKCAMMP12SCN9AHDAC1HDAC8
SCHEMBL1953244 0.87 SCN9A (0.40) PRKCAMMP12SCN9AHDAC1HDAC8
SCHEMBL1954406 0.85 PRKCA (0.37) PRKCAMMP12SCN9AHDAC1HDAC8
SCHEMBL1981576 0.84 SCN9A (0.40) PRKCAMMP12SCN9AHDAC1HDAC8
SCHEMBL1981341 0.84 SCN9A (0.46) PRKCAMMP12SCN9AHDAC1HDAC8
SCHEMBL1954720 0.82 PRKCA (0.46) PRKCAMMP12SCN9AHDAC1HDAC8
SCHEMBL1983368 0.82 SCN9A (0.40) PRKCAMMP12SCN9AHDAC1HDAC8
SCHEMBL2866958 0.81 PRKCA (0.43) PRKCAMMP12SCN9AHDAC1HDAC8
SCHEMBL1956161 0.80 HDAC1 (0.49) PRKCAMMP12SCN9AHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331554-B1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS JANSSEN R & D IRELAND (IE) 2013-03-06 EP disclosed
US-8357687-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors TIBOTEC PHARMACEUTICALS (IE) 2013-01-22 US disclosed
US-8357687-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors TIBOTEC PHARMACEUTICALS (IE) 2013-01-22 US disclosed
US-20110152279-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-06-23 US disclosed
US-20110152279-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-06-23 US disclosed
EP-2331554-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS Tibotec Pharmaceuticals (IE) 2011-06-15 EP disclosed
WO-2010018233-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2010-02-18 WO disclosed
WO-2010018233-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2010-02-18 WO 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-20110152279-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS IDO1, IDO2, ZC3HAV1 PRKCA 3816/4885MMP12 3986/4885SCN9A 4103/4885

“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.