SCHEMBL8917310

SCHEMBL8917310

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.56
CACNA2D1 P54289 1/20 0.56
CACNA1B Q00975 1/20 0.56
CACNB1 Q02641 1/20 0.56
CACNA1C Q13936 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 3/20 0.55
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 1/20 0.53
HTR7 P34969 1/20 0.53
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL18733242 0.90 ALDH1A1 (0.58) SMN1; SMN2LMNAALDH1A1KDM4EHTR7
SCHEMBL28724558 0.84 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1SMN1; SMN2LMNA
SCHEMBL26828175 0.84 ACHE (0.66)
SCHEMBL4650029 0.83 CXCR4 (0.55) KMT2AMEN1
SCHEMBL24739496 0.83 CXCR4 (0.55) KMT2AMEN1
SCHEMBL14496689 0.83 CACNA2D1 (0.44) CACNA2D1CACNA1BCACNB1CACNA1CSMN1; SMN2
SCHEMBL8916029 0.81 ALDH1A1 (0.73) MC4RSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL8916629 0.81 ALDH1A1 (0.72) MC4RSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL8919352 0.80 SIGMAR1 (0.52) MC4RSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL8916206 0.79 KMT2A (0.64) SMN1; SMN2LMNAALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 MC4R 694/4885CACNA2D1 2352/4885CACNA1B 2634/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MC4R 2973/4885CACNA2D1 3350/4885CACNA1B 4074/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MC4R 698/4885CACNA2D1 2183/4885CACNA1B 3641/4885

“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.