SCHEMBL8166642

SCHEMBL8166642

CCNc1cccc2c1CCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
MEN1 O00255 1/20 0.56
THRA P10827 1/20 0.56
THRB P10828 1/20 0.56
KMT2A Q03164 1/20 0.56
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
HDAC6 Q9UBN7 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45

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
SCHEMBL8887849 0.98 HTT (0.56) HTTSMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL12471303 0.96 HTT (0.54) HTTSMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL13256427 0.86 ALDH1A1 (0.61) HTTSMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL18893376 0.82 ALDH1A1 (0.57) HTTSMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL9759416 0.82 ALDH1A1 (0.57) HTTSMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL12223378 0.79 ALDH1A1 (0.42) HTTSMN1; SMN2NPSR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL9850654 0.79 HTT (0.55) HTTSMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL3366873 0.79 ALDH1A1 (0.54) HTTSMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL7905159 0.78 BCL2L1 (0.54) HTTSMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL12101466 0.78 MEN1 (0.56) HTTSMN1; SMN2NPSR1ALDH1A1LMNA

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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 WO disclosed
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
WO-2008098857-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US 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 (4 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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 HTT 1673/4885SMN1; SMN2 4711/4885NPSR1 764/4885
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN HTT 4193/4885SMN1; SMN2 4689/4885NPSR1 140/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB HTT 3022/4885SMN1; SMN2 4307/4885NPSR1 57/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 HTT 1673/4885SMN1; SMN2 4711/4885NPSR1 764/4885

“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.