SCHEMBL3030540

SCHEMBL3030540

C[CH]C(=O)N1CCN(CCCc2ccc3c(c2)OCCCO3)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.47
FAAH O00519 1/20 0.43
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL3821384 0.84 TRPV1 (0.51) TRPV1FAAHALDH1A1KDM4ETDP1
SCHEMBL16695191 0.80 CYP2D6 (0.50) TRPV1ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL3030537 0.80 DRD2 (0.38) TRPV1FAAHMAPTDRD2SIGMAR1
SCHEMBL2600465 0.77 DPP7 (0.52) TRPV1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL3032841 0.76 ADRA1D (0.40) TRPV1FPR3FPR2ALDH1A1KDM4E
SCHEMBL16695160 0.76 ALDH1A1 (0.52) TRPV1ALDH1A1KDM4EMAPTDRD2
SCHEMBL3026415 0.75 SIGMAR1 (0.66) FAAHALDH1A1KDM4ESIGMAR1
SCHEMBL5774801 0.74 FAAH (0.57) FAAHALDH1A1MAPTHTTMEN1
SCHEMBL7996805 0.73 HRH1 (0.53) TRPV1ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL19043227 0.73 SIGMAR1 (0.58) ALDH1A1KDM4EPOLBMAPTHTT

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
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-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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 TRPV1 677/4885FAAH 2018/4885FPR3 194/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TRPV1 2120/4885FAAH 4806/4885FPR3 2386/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 TRPV1 1463/4885FAAH 1015/4885FPR3 2005/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 TRPV1 1113/4885FAAH 2289/4885FPR3 275/4885

“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.