SCHEMBL16836744

SCHEMBL16836744

CC#CCOc1ccc2c(ccn2CCI)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CASR P41180 1/20 0.40
MCL1 Q07820 6/20 0.40
HTR2A P28223 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGAV P06756 2/20 0.37
ITGB5 P18084 2/20 0.37
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
BCL2 P10415 4/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN9A Q15858 1/20 0.36
HDAC3 O15379 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
SCHEMBL16836717 0.88 MTNR1A (0.43) HTR2CMTNR1AMTNR1BCASRMCL1
SCHEMBL16836727 0.82 MCL1 (0.40) HTR2CMTNR1AMTNR1BCASRMCL1
SCHEMBL18857020 0.81 HTR2C (0.59) HTR2CMTNR1AMTNR1BHTR2AMAPT
SCHEMBL16836696 0.76 MCL1 (0.42) MTNR1AMTNR1BMCL1ITGB3ITGAV
SCHEMBL18423138 0.74 MMP1 (0.46)
SCHEMBL16836697 0.74 MMP1 (0.46)
SCHEMBL16836698 0.74 MMP1 (0.46)
SCHEMBL16836688 0.73 MCL1 (0.40) MTNR1AMTNR1BMCL1MAOAMAOB
SCHEMBL16569329 0.72 CASR (0.38) CASR
SCHEMBL7960647 0.70 AGXT (0.53) MAPTSMN1; SMN2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083567-B1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-07 EP disclosed
US-9624206-B2 Antibacterial 1H-indazole and 1H-indole derivatives ACTELION PHARMACEUTICALS LTD (CH) 2017-04-18 US disclosed
US-20170029411-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-02-02 US disclosed
EP-3083567-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2016-10-26 EP disclosed
WO-2015091741-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-25 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-20170029411-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES MRPL21, PYM1, DRD3 HTR2C 73/4885MTNR1A 529/4885MTNR1B 390/4885

“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.