SCHEMBL1935709

SCHEMBL1935709

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 4/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2A13 Q16696 1/20 0.45
HPGD P15428 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
MEN1 O00255 1/20 0.42
MTOR P42345 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RIPK1 Q13546 1/20 0.41

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
SCHEMBL15105449 0.87 ALDH1A1 (0.41) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL1935603 0.84 LTB4R (0.42) ALDH1A1CYP2A6CYP2A13KMT2AALDH3A1
SCHEMBL3948563 0.82 AOC3 (0.57)
SCHEMBL15105476 0.80 KMT2A (0.50) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL15105477 0.80 KMT2A (0.50) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL13480470 0.80 CYP2A6 (0.48) ALDH1A1CYP2A6CYP2A13HPGDHDAC3
SCHEMBL26087008 0.79 ALDH1A1 (0.56) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL470309 0.79 HRH3 (0.56) ALDH1A1CYP2A6CYP2A13HPGDHDAC3
SCHEMBL1936823 0.79 HTR2C (0.40) RAB9ANPC1ALDH1A1CYP2A6CYP2A13
SCHEMBL2044105 0.78 CHRNB2 (0.51) RAB9ANPC1CA12CA9ALDH1A1

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 7 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
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
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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 (3 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 RAB9A 2719/4885NPC1 2189/4885CA12 4086/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT RAB9A 3127/4885NPC1 952/4885CA12 3569/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 RAB9A 2507/4885NPC1 2117/4885CA12 4099/4885

“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.