SCHEMBL1934149

SCHEMBL1934149

CN(C)CCOCC1(O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ GPR119 Q8TDV5 10/20 0.38
▸ RECQL P46063 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ EPHX2 P34913 1/20 0.36

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
SCHEMBL1935369 0.83 CHRM2 (0.36) SMN1; SMN2TACR1
SCHEMBL16049616 0.81 USP2 (0.46) USP2SMN1; SMN2HPGDGPR119RECQL
SCHEMBL15740589 0.81 USP2 (0.46) USP2SMN1; SMN2HPGDGPR119RECQL
SCHEMBL15742971 0.78 USP2 (0.49) USP2SMN1; SMN2HPGDGPR119RECQL
SCHEMBL16084012 0.78 TACR1 (0.44) USP2SMN1; SMN2HPGDGPR119RECQL
SCHEMBL17275937 0.77 SMN1; SMN2 (0.43) USP2SMN1; SMN2HPGDGPR119RECQL
SCHEMBL2349423 0.76 USP2 (0.50) USP2SMN1; SMN2HPGDGPR119RECQL
SCHEMBL2945193 0.76 USP2 (0.50) USP2SMN1; SMN2HPGDGPR119RECQL
SCHEMBL29201763 0.76 GPR119 (0.44) HPGDGPR119
SCHEMBL2525447 0.75 USP2 (0.49) USP2SMN1; SMN2HPGDGPR119RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 — — US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 — — US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 — — US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 — — US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 — — US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 — — US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 — — US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 — — US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 — — US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 — — EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 — — WO disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 — — 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 USP2 4171/4885SMN1; SMN2 4510/4885HPGD 540/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 USP2 3985/4885SMN1; SMN2 4544/4885HPGD 577/4885

“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.

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