SCHEMBL8919352

SCHEMBL8919352

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
HTR2A P28223 3/20 0.52
HTR2C P28335 3/20 0.52
HTR2B P41595 3/20 0.52
DRD2 P14416 2/20 0.52
MC4R P32245 1/20 0.51
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HTR7 P34969 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
OPRM1 P35372 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL7013887 0.81 SIGMAR1 (0.60) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL8916945 0.81 KMT2A (0.60) LMNASMN1; SMN2ALDH1A1KDM4EOPRM1
SCHEMBL8917310 0.80 MC4R (0.56) MC4RLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8916029 0.77 ALDH1A1 (0.73) MC4RLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8916629 0.77 ALDH1A1 (0.72) MC4RLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3999982 0.76 MC4R (0.62) SIGMAR1HTR2AHTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL8486085 0.76 LTA4H (0.58) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL30098883 0.75 LMNA (0.41) LMNASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL7016415 0.75 SIGMAR1 (0.58) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL19278395 0.75 SIGMAR1 (0.56) SIGMAR1HTR2AHTR2CHTR2BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP 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-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 SIGMAR1 52/4885HTR2A 1799/4885HTR2C 895/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 SIGMAR1 21/4885HTR2A 4500/4885HTR2C 4372/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 SIGMAR1 136/4885HTR2A 1033/4885HTR2C 835/4885

“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.