SCHEMBL2545138

SCHEMBL2545138

CCOC(=O)N1CCN(C(=O)[C@@H](N)COCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP2C9 P11712 1/20 0.57
GAA P10253 2/20 0.56
TACR1 P25103 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP2C19 P33261 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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 SCHEMBL2545135 0.99 TSHR (0.56) TSHRALDH1A1CYP1A2POLBCYP2C9
Hydrochloric Acid SCHEMBL2545139 0.99 TSHR (0.56) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL3332323 0.88 TSHR (0.55) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL3332321 0.88 TSHR (0.55) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL2800375 0.86 TACR1 (0.56) TACR1
SCHEMBL2800372 0.86 TACR1 (0.56) TACR1
SCHEMBL954600 0.85 TSHR (0.52) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL954599 0.85 TSHR (0.52) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL2908042 0.85 TSHR (0.63) TSHRALDH1A1CYP1A2POLBCYP2C9
SCHEMBL30337959 0.85 TSHR (0.63) TSHRALDH1A1CYP1A2POLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 EP disclosed
US-8048881-B2 Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-01 US disclosed
US-8044055-B2 2-phenyl-6-aminocarbonyl-pyrimidine derivatives and their use as P2Y12 receptor ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-25 US disclosed
EP-2079711-B1 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-06 EP disclosed
US-20090291962-A1 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ACTELION PHARMACEUTICALS LTD. (CH) 2009-11-26 US disclosed
EP-2079711-A2 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
WO-2008050301-A2 2- PHENYL- 6-AMINOCARBONYL- PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-05-02 WO disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 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 (2 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-20090291962-A1 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR P2RY12, P2RY13, P2RY2 TSHR 972/4885ALDH1A1 919/4885CYP1A2 928/4885
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 TSHR 1238/4885ALDH1A1 1522/4885CYP1A2 1651/4885

“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.