SCHEMBL8916029

SCHEMBL8916029

CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
KMT2A Q03164 3/20 0.72
TSHR P16473 3/20 0.72
MEN1 O00255 2/20 0.72
POLB P06746 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
LMNA P02545 1/20 0.64
CYP2C19 P33261 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
ADRB2 P07550 1/20 0.62
KDM4E B2RXH2 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
MC4R P32245 1/20 0.59

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
SCHEMBL2793889 0.94 KMT2A (0.77) ALDH1A1KMT2ATSHRMEN1POLB
SCHEMBL5080239 0.90 KMT2A (0.78) ALDH1A1KMT2ATSHRMEN1POLB
SCHEMBL8920814 0.88 KMT2A (0.75) ALDH1A1KMT2ATSHRMEN1POLB
SCHEMBL14456710 0.87 ADRB2 (0.67) ALDH1A1KMT2ATSHRMEN1POLB
SCHEMBL10947749 0.86 KMT2A (0.76) ALDH1A1KMT2ATSHRMEN1POLB
SCHEMBL25499383 0.85 L3MBTL1 (0.61) ALDH1A1KMT2ATSHRMEN1POLB
SCHEMBL8233499 0.85 ALDH1A1 (0.68) ALDH1A1KMT2ATSHRMEN1POLB
SCHEMBL21569623 0.85 ALDH1A1 (0.68) ALDH1A1KMT2ATSHRMEN1POLB
SCHEMBL8917273 0.84 KDM4E (0.66) ALDH1A1KMT2ATSHRMEN1POLB
SCHEMBL14456748 0.84 KMT2A (0.73) ALDH1A1KMT2ATSHRMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089695-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2018-05-17 WO disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-7348307-B2 Methionine aminopeptidase-2 inhibitors and methods of use thereof PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-25 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070254843-A1 Methods for treating bone associated diseases by the use of methionine aminopeptidase-2 inhibitors PRAECIS PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070161570-A1 Methionine aminopeptidase-2 inhibitors and methods of use thereof PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
US-20070010452-A1 Methionine aminopeptidase-2 inhibitors and methods of use thereof PRAECIS PHARMACEUTICALS, INC. (US) 2007-01-11 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 (6 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-20070010452-A1 Methionine aminopeptidase-2 inhibitors and methods of use thereof METAP2, METAP1, DNPEP ALDH1A1 1155/4885KMT2A 446/4885TSHR 1928/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 ALDH1A1 565/4885KMT2A 984/4885TSHR 1585/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885KMT2A 1623/4885TSHR 2239/4885
US-20070161570-A1 Methionine aminopeptidase-2 inhibitors and methods of use thereof METAP2, METAP1, LNPEP ALDH1A1 2278/4885KMT2A 1477/4885TSHR 4278/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885KMT2A 2349/4885TSHR 743/4885
US-20070254843-A1 Methods for treating bone associated diseases by the use of methionine aminopeptidase-2 inhibitors METAP2, ENPEP, METAP1 ALDH1A1 2702/4885KMT2A 467/4885TSHR 2293/4885

“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.