SCHEMBL5517804

SCHEMBL5517804

Cn1c(-c2ncc(Cl)cn2)c(C2CCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
CYP2C9 P11712 3/20 0.51
CYP3A4 P08684 11/20 0.50
CYP2C19 P33261 11/20 0.50
SCN9A Q15858 6/20 0.48
CYP2D6 P10635 1/20 0.41
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL904335 0.89 SCN9A (0.48) HTR2ACYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL903153 0.89 SCN9A (0.48) HTR2ACYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL12051151 0.89 HTR2A (0.52) HTR2ACYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL13006934 0.81 SCN9A (0.49) HTR2ACYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL4431910 0.81 CYP3A4 (0.58) HTR2ACYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL6368381 0.80 SCN9A (0.48) HTR2ACYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL4431788 0.80 CYP3A4 (0.60) HTR2ACYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL1260727 0.80 CYP3A4 (0.61) CYP2C9CYP3A4CYP2C19SCN9ACYP2D6
SCHEMBL14452260 0.79 CYP3A4 (0.59) HTR2ACYP2C9CYP3A4CYP2C19SCN9A
SCHEMBL1261240 0.79 CYP3A4 (0.62) CYP2C9CYP3A4CYP2C19SCN9ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2530082-A1 Process for preparing 2, 3-disubstituted indoles Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-7851625-B2 Process for preparing 2,3-disubstituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-14 US disclosed
US-7642352-B2 Process for preparing 2,3-disubstituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-20090264655-A1 PROCESS FOR PREPARING 2,3-DISUBSTITUTED INDOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 US disclosed
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-20070249629-A1 Viral Polymerase Inhibitors BEAULIEU PIERRE 2007-10-25 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
US-7241801-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
CN-1984908-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-06-20 CN disclosed
EP-1771442-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-11 EP disclosed
WO-2007019674-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 WO disclosed
US-20060052418-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-09 US disclosed
WO-2006007693-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 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 (3 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-20090264655-A1 PROCESS FOR PREPARING 2,3-DISUBSTITUTED INDOLES DCLK2, DCLK1, TTL HTR2A 209/4885CYP2C9 1737/4885CYP3A4 1243/4885
US-20070249629-A1 Viral Polymerase Inhibitors RPP30, POLR2A, POLR1E HTR2A 4639/4885CYP2C9 693/4885CYP3A4 1402/4885
US-20060052418-A1 Viral polymerase inhibitors RPP30, POLR2A, POLR1E HTR2A 4639/4885CYP2C9 693/4885CYP3A4 1402/4885

“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.