SCHEMBL12371463

SCHEMBL12371463

CO[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)CCNCC3)N(C(=O)Nc2ccc(Br)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MELK Q14680 4/20 0.51
F10 P00742 4/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KLKB1 P03952 1/20 0.40
CFD P00746 4/20 0.40
KDM4E B2RXH2 1/20 0.39
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
TSHR P16473 1/20 0.37
FLT3 P36888 2/20 0.37
SLC2A1 P11166 1/20 0.37
CAMK2G Q13555 1/20 0.36
CAMK2D Q13557 1/20 0.36
MYLK Q15746 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL14434240 1.00 MELK (0.51) MELKF10MEN1KMT2AKLKB1
SCHEMBL14434220 0.91 NPC1 (0.47) F10MEN1KMT2ACFDHCRTR1
SCHEMBL14434230 0.91 F10 (0.47) MELKF10MEN1KMT2AKLKB1
SCHEMBL14434235 0.89 F10 (0.45) MELKF10KLKB1CFDHCRTR1
SCHEMBL14434994 0.89 NPC1 (0.46) MELKF10MEN1KMT2AKLKB1
SCHEMBL14434228 0.89 F10 (0.44) MELKF10KMT2AKLKB1CFD
SCHEMBL14435246 0.88 MELK (0.47) MELKF10MEN1KMT2AKLKB1
SCHEMBL12101392 0.87 F10 (0.43) F10MEN1KMT2ACFDKDM4E
SCHEMBL8222128 0.87 F10 (0.43) F10MEN1KMT2ACFDKDM4E
SCHEMBL12892314 0.87 F10 (0.43) F10MEN1KMT2ACFDKDM4E

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-8003639-B2 Substituted prolinamides, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-23 US disclosed
US-8003639-B2 Substituted prolinamides, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-23 US disclosed
US-20090048231-A1 SUBSTITUTED PROLINAMIDES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 US disclosed
US-20090048231-A1 SUBSTITUTED PROLINAMIDES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 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-20090048231-A1 SUBSTITUTED PROLINAMIDES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PREP, P4HA1, PPID MELK 3940/4885F10 1628/4885MEN1 653/4885

“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.