SCHEMBL707697

SCHEMBL707697

COC(=O)c1ccccc1-c1ccc(CNCCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ATM Q13315 1/20 0.59
SLC6A3 Q01959 4/20 0.55
SLC6A4 P31645 3/20 0.55
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
BRS3 P32247 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
SLC6A2 P23975 1/20 0.49
BDKRB1 P46663 3/20 0.48
BCHE P06276 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 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
Hydrochloric Acid SCHEMBL707696 0.99 MEN1 (0.57) MEN1KMT2AATMSLC6A3SLC6A4
SCHEMBL708971 0.93 SLC6A3 (0.52) MEN1KMT2AATMSLC6A3SLC6A4
SCHEMBL5061628 0.91 SLC6A3 (0.61) SLC6A3SLC6A4ALDH1A1KDM4EBRS3
SCHEMBL4469796 0.83 MEN1 (0.63) MEN1KMT2AATMSLC6A3ALDH1A1
SCHEMBL4933368 0.81 MEN1 (0.68) MEN1KMT2AATMSLC6A3ALDH1A1
SCHEMBL3126366 0.80 SLC6A3 (0.58) SLC6A3SLC6A4LTB4R2SLC6A2BDKRB1
SCHEMBL8792048 0.80 SLC6A3 (0.64) KMT2ASLC6A3SLC6A4KDM4EBRS3
SCHEMBL3112718 0.79 SLC6A3 (0.69) KMT2AATMSLC6A3SLC6A4KDM4E
SCHEMBL29979869 0.79 SLC6A3 (0.69) SLC6A3SLC6A4BRS3LTB4R2SLC6A2
SCHEMBL14326964 0.79 SLC6A3 (0.69) SLC6A3SLC6A4BRS3LTB4R2SLC6A2

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-1553075-B1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
EP-2565178-A1 LPA Receptor Antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-06 EP disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-8124645-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
US-7820682-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20080293764-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. 2008-11-27 US disclosed
US-20060148830-A1 Lpa receptor antagonist ONO PHARMACEUTICAL CO., LTD. 2006-07-06 US disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP 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-20080293764-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 MEN1 1200/4885KMT2A 933/4885ATM 1649/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 MEN1 1200/4885KMT2A 933/4885ATM 1649/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 MEN1 1200/4885KMT2A 933/4885ATM 1649/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 MEN1 1200/4885KMT2A 933/4885ATM 1649/4885

“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.