SCHEMBL2963862

SCHEMBL2963862

O=CCCN1CCN(C(=O)O)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.33
ITGB3 P05106 4/20 0.33
ITGA2B P08514 4/20 0.33
MCHR1 Q99705 1/20 0.33
DPP4 P27487 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL2924196 0.85 P2RX7 (0.33) P2RX7ITGB3ITGA2BMCHR1DPP4
SCHEMBL16415209 0.79 ITGB3 (0.39) P2RX7ITGB3ITGA2BMCHR1DPP4
SCHEMBL19439275 0.77 ITGB3 (0.38) P2RX7ITGB3ITGA2BMCHR1DPP4
SCHEMBL3179062 0.77 MCHR1 (0.43) MCHR1DPP4HRH3
SCHEMBL4014309 0.75 PARP1 (0.40) P2RX7ITGB3ITGA2BMCHR1
SCHEMBL20571751 0.75 P2RX7 (0.51) P2RX7ITGB3ITGA2B
SCHEMBL13783754 0.74
SCHEMBL16416532 0.72 P2RX7 (0.36) P2RX7ITGB3ITGA2BDPP4
SCHEMBL2932063 0.71 DPP4 (0.46) DPP4
SCHEMBL12495357 0.71 TSHR (0.43) P2RX7ITGB3ITGA2BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 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 (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-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 P2RX7 993/4885ITGB3 3585/4885ITGA2B 4199/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 P2RX7 993/4885ITGB3 3585/4885ITGA2B 4199/4885

“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.