SCHEMBL3243552

SCHEMBL3243552

CC(C)N1CCN(C(=O)c2ccc3c(C4CCCN(C(=O)c5ccsc5)C4)c[nH]c3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.51
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CHRNA7 P36544 2/20 0.40
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3243908 0.87 HRH3 (0.58) HRH3MTNR1AMTNR1BCHRNA7HSD11B1
SCHEMBL3243916 0.87 HRH3 (0.54) HRH3KMT2AALDH1A1MTNR1AMTNR1B
SCHEMBL3242788 0.86 HRH3 (0.53) HRH3MTNR1AMTNR1BCHRNA7HSD11B1
SCHEMBL3238692 0.86 HRH3 (0.53) HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL3238711 0.86 HRH3 (0.53) HRH3KMT2AMEN1MTNR1AMTNR1B
SCHEMBL3243212 0.84 HRH3 (0.51) HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL3249148 0.84 HRH3 (0.51) HRH3ALDH1A1MTNR1AMTNR1BHSD11B1
SCHEMBL3242779 0.84 HRH3 (0.55) HRH3MTNR1AMTNR1B
SCHEMBL3242758 0.84 HRH3 (0.55) HRH3MTNR1AMTNR1B
SCHEMBL3238698 0.83 HRH3 (0.61) HRH3MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426428-B2 EGFR kinase knockdown via electrophilically enhanced inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2013-04-23 US disclosed
US-20100144705-A1 EGFR KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2010-06-10 US disclosed
EP-2069331-B1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
EP-2069331-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2009-06-17 EP disclosed
US-7514433-B2 1H-indole-6-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
US-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 US disclosed
WO-2008015125-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 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 (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-20100144705-A1 EGFR KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS EGFR, ERBB2, ERBB3 HRH3 3087/4885KMT2A 1179/4885MEN1 3422/4885
US-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives HTR6, HTR1A, HRH4 HRH3 5/4885KMT2A 779/4885MEN1 1288/4885

“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.