SCHEMBL760630

SCHEMBL760630

N[C@H]1CC[C@@H](NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
ALDH1A1 P00352 2/20 0.74
GAA P10253 1/20 0.74
EPHX1 P07099 1/20 0.63
DPP4 P27487 7/20 0.60
DPP7 Q9UHL4 7/20 0.60
KCNH2 Q12809 4/20 0.60
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
CTSK P43235 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CPB1 P15086 1/20 0.53
TLR4 O00206 1/20 0.52

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
SCHEMBL880579 1.00 TSHR (0.75) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL1192792 1.00 TSHR (0.75) TSHRALDH1A1GAAEPHX1DPP4
Hydrochloric Acid SCHEMBL2281880 0.99 TSHR (0.73) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL3948461 0.92 ALDH1A1 (0.85) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL381922 0.92 ALDH1A1 (0.85) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL3948456 0.92 ALDH1A1 (0.85) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL8324876 0.92 TSHR (0.67) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL21198114 0.92 TSHR (0.67) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL14981586 0.92 TSHR (0.67) TSHRALDH1A1GAAEPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.91 ALDH1A1 (0.83) TSHRALDH1A1GAAEPHX1DPP4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 US disclosed
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 US disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
EP-2321283-B1 2,6-DIAMINO-PYRIMIDIN-5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARM INC (US) 2016-07-13 EP disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-04-02 US disclosed
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-04-02 US disclosed
US-8937070-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-01-20 US disclosed
US-8937070-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-01-20 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2009145856-A1 2, 6-DIAMINO-PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 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 (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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 TSHR 2801/4885ALDH1A1 4344/4885GAA 2777/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 TSHR 156/4885ALDH1A1 2036/4885GAA 484/4885
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 TSHR 2801/4885ALDH1A1 4344/4885GAA 2777/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 TSHR 2944/4885ALDH1A1 3049/4885GAA 1741/4885
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 TSHR 2801/4885ALDH1A1 4344/4885GAA 2777/4885

“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.