SCHEMBL12371438

SCHEMBL12371438

CCc1ccc(NC(=O)N2C[C@H](OC)C[C@@H]2C(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ATM Q13315 1/20 0.44
F10 P00742 4/20 0.43
CFD P00746 2/20 0.41
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
TSHR P16473 2/20 0.38
KLKB1 P03952 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
STAT1 P42224 1/20 0.38

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
SCHEMBL15436217 1.00 NPC1 (0.47) NPC1RAB9AATMF10CFD
SCHEMBL14434994 0.90 NPC1 (0.46) NPC1RAB9AATMF10CFD
SCHEMBL15436018 0.89 F10 (0.48) NPC1RAB9AATMF10CFD
SCHEMBL8470652 0.89 HCRTR1 (0.50) NPC1RAB9AF10KMT2AMAPT
SCHEMBL8471226 0.89 F10 (0.54) F10CFDKMT2AMEN1HCRTR1
SCHEMBL12371419 0.89 HCRTR1 (0.50) NPC1RAB9AF10KMT2AMAPT
SCHEMBL12371451 0.89 F10 (0.48) NPC1RAB9AATMF10CFD
SCHEMBL12371447 0.87 F10 (0.45) NPC1RAB9AF10CFDKMT2A
SCHEMBL13104199 0.87 F10 (0.47) NPC1RAB9AF10CFDKMT2A
SCHEMBL12101351 0.87 F10 (0.47) NPC1RAB9AF10CFDKMT2A

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 NPC1 3086/4885RAB9A 1664/4885ATM 4252/4885

“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.