SCHEMBL3035971

SCHEMBL3035971

C[C](C)CC(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 4/20 0.63
ALDH1A1 P00352 8/20 0.60
KDM4E B2RXH2 4/20 0.60
FAAH O00519 1/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
HDAC4 P56524 1/20 0.57
KCNH2 Q12809 1/20 0.57
HDAC1 Q13547 1/20 0.57
MAPT P10636 1/20 0.57
POLB P06746 1/20 0.57
HTR7 P34969 1/20 0.57
SIGMAR1 Q99720 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL5247018 0.87 FAAH (0.63) SMN1; SMN2LMNAALDH1A1KDM4EFAAH
SCHEMBL5407076 0.85 ALDH1A1 (0.60) SMN1; SMN2LMNAALDH1A1KDM4EFAAH
SCHEMBL8192193 0.85 SMN1; SMN2 (0.60) SMN1; SMN2LMNAALDH1A1KDM4EFAAH
SCHEMBL15224104 0.84 FAAH (0.60) SMN1; SMN2LMNAALDH1A1KDM4EFAAH
SCHEMBL2841801 0.84 ALDH1A1 (0.68) SMN1; SMN2LMNAALDH1A1KDM4EFAAH
SCHEMBL1943497 0.83 HRH3 (0.75) SMN1; SMN2LMNAALDH1A1KDM4EFAAH
SCHEMBL5064043 0.82 ALDH1A1 (0.71) SMN1; SMN2LMNAALDH1A1KDM4EFAAH
SCHEMBL6681439 0.82 ALDH1A1 (0.83) SMN1; SMN2LMNAALDH1A1KDM4EKMT2A
SCHEMBL8472994 0.81 LMNA (0.60) SMN1; SMN2LMNAALDH1A1KDM4EFAAH
SCHEMBL2133889 0.81 ALDH1A1 (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 10 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
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 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-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 SMN1; SMN2 4313/4885LMNA 2721/4885ALDH1A1 565/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SMN1; SMN2 4812/4885LMNA 4742/4885ALDH1A1 2295/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SMN1; SMN2 4827/4885LMNA 4683/4885ALDH1A1 1814/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 SMN1; SMN2 3224/4885LMNA 4340/4885ALDH1A1 265/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 SMN1; SMN2 3077/4885LMNA 1091/4885ALDH1A1 475/4885

“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.