SCHEMBL737442

SCHEMBL737442

O=C1COC2(CCNCC2)CN1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.62
OPRM1 P35372 6/20 0.62
TSHR P16473 3/20 0.44
HSD17B10 Q99714 3/20 0.41
USP2 O75604 4/20 0.40
CYP2D6 P10635 4/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 2/20 0.38
CYP1A2 P05177 2/20 0.38
MAPK1 P28482 2/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL17319137 0.92 SIGMAR1 (0.56) SIGMAR1OPRM1TSHRHSD17B10USP2
SCHEMBL736873 0.86 SIGMAR1 (0.47) SIGMAR1OPRM1ALDH1A1KCNH2NPY5R
SCHEMBL737026 0.86 SIGMAR1 (0.47) SIGMAR1OPRM1TSHRHSD17B10USP2
SCHEMBL735996 0.86 SIGMAR1 (0.47) SIGMAR1OPRM1TP53MAPTSMN1; SMN2
SCHEMBL737073 0.85 SIGMAR1 (0.46) SIGMAR1OPRM1TSHRUSP2CYP2D6
SCHEMBL736048 0.84 SIGMAR1 (0.46) SIGMAR1OPRM1USP2CYP2D6ALDH1A1
SCHEMBL736596 0.84 SIGMAR1 (0.46) SIGMAR1OPRM1HSD17B10ALDH1A1GAA
SCHEMBL737418 0.82 SIGMAR1 (0.44) SIGMAR1OPRM1ALDH1A1CYP3A4CYP2C19
SCHEMBL736127 0.82 ADRB1 (0.46) SIGMAR1OPRM1CYP1A2MAPK1MAPT
SCHEMBL735645 0.81 OPRM1 (0.44) SIGMAR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP disclosed
US-20060052597-A1 Aryloxyalkylamine derivatives as h3 receptor ligands BEST DESMOND J 2006-03-09 US disclosed
EP-1554260-A1 ARYLOXYALKYLAMINE DERIVATIVES AS H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
WO-2004037800-A1 ARYLOXYALKYLAMINE DERIVATES AS H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2004-05-06 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-20060052597-A1 Aryloxyalkylamine derivatives as h3 receptor ligands HRH3, HTR6, HTR4 SIGMAR1 86/4885OPRM1 32/4885TSHR 280/4885
US-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 SIGMAR1 11/4885OPRM1 15/4885TSHR 471/4885
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 SIGMAR1 1459/4885OPRM1 2864/4885TSHR 2876/4885

“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.