SCHEMBL12371450

SCHEMBL12371450

CO[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)CCN(C)CC3)N(C(=O)Nc2ccc(Br)c(F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.46
CFD P00746 6/20 0.40
KLKB1 P03952 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL13104222 0.97 F10 (0.44) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL8222130 0.97 F10 (0.44) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL8224894 0.97 F10 (0.44) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL14434235 0.90 F10 (0.45) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL15436220 0.89 F10 (0.46) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL15436018 0.89 F10 (0.48) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL12371451 0.89 F10 (0.48) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL12101317 0.87 F10 (0.48) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL8230614 0.87 F10 (0.48) F10CFDKLKB1HCRTR1HCRTR2
SCHEMBL12101321 0.87 F10 (0.44) F10CFDKLKB1HCRTR1HCRTR2

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 F10 1628/4885CFD 343/4885KLKB1 2049/4885

“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.