SCHEMBL1935276

SCHEMBL1935276

CN1CCN(CC2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.37
USP19 O94966 1/20 0.36
NAMPT P43490 1/20 0.36
RECQL P46063 1/20 0.36
EPHX1 P07099 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
TERT O14746 1/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL3300328 0.88 HPGD (0.46) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL18693801 0.86 USP2 (0.41) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL23250122 0.84 USP2 (0.42) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL22295579 0.84 USP2 (0.42) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL962538 0.84 USP2 (0.60) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL19054670 0.84 HPGD (0.44) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL18732639 0.82 USP2 (0.40) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL30958179 0.82 CRBN (0.43) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL20069057 0.80 USP2 (0.43) SMN1; SMN2USP2CHRM2CHRM4CHRM1
SCHEMBL30258778 0.79 HPGD (0.41) SMN1; SMN2USP2CHRM4HPGDEPHX2

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 11 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

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 SMN1; SMN2 4510/4885USP2 4171/4885CHRM2 135/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 SMN1; SMN2 4544/4885USP2 3985/4885CHRM2 106/4885

“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.