SCHEMBL1936801

SCHEMBL1936801

CC(C)(C)N(CCc1ccc(C=O)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ALDH1A1 P00352 5/20 0.38
LMNA P02545 3/20 0.37
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 1/20 0.36
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
CYP2A6 P11509 2/20 0.34
CYP2A13 Q16696 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ESRRG P62508 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL942814 0.85 MEN1 (0.51) KMT2AMEN1HTTL3MBTL1EPHX2
SCHEMBL4147783 0.82 ESRRG (0.49) KMT2AMEN1HTTL3MBTL1ALDH1A1
SCHEMBL2881402 0.82 PPARA (0.49) KMT2AMEN1HTTL3MBTL1ALDH1A1
SCHEMBL1027884 0.82 MEN1 (0.47) KMT2AMEN1HTTL3MBTL1ALDH1A1
SCHEMBL1935310 0.82 MEN1 (0.47) KMT2AMEN1HTTL3MBTL1EPHX2
SCHEMBL21247482 0.82 KMT2A (0.63) KMT2AMEN1HTTL3MBTL1ALDH1A1
SCHEMBL11898599 0.81 MEN1 (0.46) KMT2AMEN1HTTL3MBTL1ALDH1A1
SCHEMBL21997106 0.81 KMT2A (0.46) KMT2AMEN1HTTL3MBTL1ALDH1A1
SCHEMBL1845384 0.81 MEN1 (0.46) KMT2AMEN1HTTL3MBTL1EPHX2
SCHEMBL1935745 0.81 MEN1 (0.46) KMT2AMEN1HTTL3MBTL1ALDH1A1

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
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
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT KMT2A 3533/4885MEN1 3031/4885HTT 3/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 KMT2A 2057/4885MEN1 349/4885HTT 3144/4885

“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.