SCHEMBL12371474

SCHEMBL12371474

CN1CCc2ccc(NC(=O)[C@H]3CC(N(C)C)CN3C(=O)Nc3ccc(Br)cc3)cc2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MELK Q14680 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CFD P00746 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL14435010 0.90 MELK (0.51) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL12371429 0.87 KDM4E (0.50) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL8471194 0.87 MEN1 (0.53) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL12371426 0.87 MEN1 (0.53) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL12371475 0.87 NPC1 (0.39) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL12371476 0.87 NPC1 (0.39) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL12101338 0.85 MEN1 (0.50) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL8222128 0.82 F10 (0.43) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL12101392 0.82 F10 (0.43) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL12892314 0.82 F10 (0.43) RAB9ANPC1KDM4EMEN1KMT2A

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 RAB9A 1664/4885NPC1 3086/4885KDM4E 2663/4885

“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.