SCHEMBL2238826

SCHEMBL2238826

CN(Cc1ccc(CN2CCC(O)CC2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2D6 P10635 1/20 0.51
KMT2A Q03164 1/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ACHE P22303 3/20 0.50
OPRM1 P35372 2/20 0.50
NPC1 O15118 1/20 0.50
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
BCHE P06276 1/20 0.47
POLB P06746 2/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL2238909 0.92 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL2238913 0.85 HTT (0.50) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL2239851 0.85 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL2235515 0.85 KDM4E (0.50) ALDH1A1KDM4EPKMHTTSMN1; SMN2
SCHEMBL2238595 0.83 ALDH1A1 (0.47) ALDH1A1KDM4ERAB9AMEN1CYP2D6
SCHEMBL2239559 0.82 HTT (0.50) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL2240023 0.82 HTT (0.54) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL2239252 0.80 BCHE (0.56) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL2241512 0.80 HTT (0.64) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL2273759 0.78 KDM1A (0.55) ALDH1A1KDM4ERAB9AMEN1CYP2D6

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 3 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-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

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 ALDH1A1 3283/4885KDM4E 2806/4885RAB9A 2719/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 ALDH1A1 3363/4885KDM4E 2968/4885RAB9A 2507/4885

“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.