SCHEMBL9940754

SCHEMBL9940754

CCOC(=O)c1c(C(C)n2c(=O)n(C3CC3)c3ccncc32)n(CCC(C)C)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRL1 P41146 2/20 0.38
CYP3A4 P08684 5/20 0.38
LMNA P02545 2/20 0.36
CYP2D6 P10635 1/20 0.36
OPRM1 P35372 2/20 0.36
TACR1 P25103 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
ELANE P08246 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
SCHEMBL9974828 0.85 CYP3A4 (0.45) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9940755 0.85 CYP3A4 (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9940613 0.76 CYP3A4 (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9940544 0.75 CYP3A4 (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9940537 0.71 CYP3A4 (0.44) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL16696088 0.71 CYP3A4 (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9974823 0.70 MAPT (0.53) HTR3AKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL17529387 0.68 HTR3A (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9974832 0.68 KDM4E (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9940550 0.67 CYP3A4 (0.51) OPRL1CYP3A4CYP2D6OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 US disclosed
US-20160237083-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-9321768-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
EP-2651922-B1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-02-24 EP disclosed
US-20150073013-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-8921560-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2014-12-30 US disclosed
EP-2651922-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Janssen R&D Ireland (IE) 2013-10-23 EP disclosed
US-20130267555-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2013-10-10 US disclosed
WO-2012080447-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2012-06-21 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-20160237083-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT HTR3A 286/4885HTR3E 533/4885HTR3B 472/4885
US-20150073013-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT HTR3A 286/4885HTR3E 533/4885HTR3B 472/4885
US-20130267555-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS IDO1, IDO2, INMT HTR3A 286/4885HTR3E 533/4885HTR3B 472/4885

“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.