SCHEMBL1474972

SCHEMBL1474972

CS(=O)(=O)Nc1ccccc1OCC1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 3/20 0.52
CYP19A1 P11511 1/20 0.49
HSD17B10 Q99714 1/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR3A P46098 1/20 0.44
KCNH2 Q12809 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
EGFR P00533 5/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
KHK P50053 1/20 0.42
PIM1 P11309 1/20 0.41
EDNRA P25101 1/20 0.41
MET P08581 1/20 0.40

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
SCHEMBL14798300 0.90 MRGPRX1 (0.57) MRGPRX1CYP19A1HSD17B10EDNRA
SCHEMBL5214498 0.79 BRD4 (0.53) MRGPRX1HSD17B10KDM1ARCOR1CHRM2
Hydrochloric Acid SCHEMBL1474917 0.78 BRD4 (0.52) MRGPRX1HSD17B10TDP1KDM1ARCOR1
SCHEMBL1474820 0.77 MRGPRX1 (0.50) MRGPRX1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL4199836 0.77 ALDH1A1 (0.56) MRGPRX1CYP19A1HSD17B10TDP1
SCHEMBL4199842 0.77 ALDH1A1 (0.56) MRGPRX1CYP19A1HSD17B10TDP1
SCHEMBL9760464 0.76 TDP1 (0.58) SLC6A2SLC6A4HTR3AKCNH2TDP1
SCHEMBL12748517 0.74 LMNA (0.47) MRGPRX1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL9883330 0.74 GLO1 (0.44) MRGPRX1SLC6A2SLC6A4CHRM3
SCHEMBL791939 0.74 TDP1 (0.59) SLC6A2SLC6A4HTR3AKCNH2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
CN-100389113-C Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2008-05-21 CN disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
CN-1630650-A Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2005-06-22 CN disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 EP disclosed
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 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 (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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 MRGPRX1 1149/4885CYP19A1 164/4885HSD17B10 2235/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 MRGPRX1 1618/4885CYP19A1 263/4885HSD17B10 2111/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 MRGPRX1 1149/4885CYP19A1 164/4885HSD17B10 2235/4885

“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.