SCHEMBL19205500

SCHEMBL19205500

CC[C@@](C)(CN)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 3/20 0.47
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL15671115 1.00 RIPK1 (0.50) RIPK1MEN1KMT2AHTTL3MBTL1
SCHEMBL15670716 0.88 RIPK1 (0.48) RIPK1MEN1KMT2AHTTL3MBTL1
SCHEMBL15670423 0.86 MEN1 (0.48) RIPK1MEN1KMT2AHTTL3MBTL1
SCHEMBL17502508 0.82 MEN1 (0.44) RIPK1MEN1KMT2AHTTL3MBTL1
SCHEMBL17224201 0.82 MEN1 (0.44) RIPK1MEN1KMT2AHTTL3MBTL1
SCHEMBL20163753 0.81 MEN1 (0.53) RIPK1MEN1KMT2AHTTL3MBTL1
SCHEMBL15671400 0.80 RIPK1 (0.47) RIPK1MEN1KMT2AHTTL3MBTL1
SCHEMBL8773482 0.77 MEN1 (0.69) RIPK1MEN1KMT2AHTTL3MBTL1
SCHEMBL18038595 0.76 KMT2A (0.54) RIPK1MEN1KMT2AHTTL3MBTL1
SCHEMBL15671042 0.73 RIPK1 (0.49) RIPK1MEN1KMT2AHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233345-A1 SUBSTITUTED QUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-17 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 (1 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-20170233345-A1 SUBSTITUTED QUINOLINE-4-CARBOXAMIDES AND USE THEREOF NQO2, SIRT5, BRD4 RIPK1 3775/4885MEN1 2611/4885KMT2A 684/4885

“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.