SCHEMBL12371428

SCHEMBL12371428

C#Cc1ccc(NC(=O)N2C[C@H](C)C[C@@H]2C(=O)Nc2ccc3c(c2)CCN(C)CC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
USP2 O75604 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CFD P00746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
F10 P00742 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
DRD2 P14416 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
SCHEMBL12371429 0.87 KDM4E (0.50) NPC1RAB9AALDH1A1CFDKDM4E
SCHEMBL12101335 0.86 F10 (0.41) ROCK2NPC1RAB9ACFDF10
SCHEMBL8230607 0.86 F10 (0.41) ROCK2NPC1RAB9ACFDF10
SCHEMBL8470830 0.79 F10 (0.57) MAPTF10MEN1KMT2ATSHR
SCHEMBL12371426 0.79 MEN1 (0.53) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL8471194 0.79 MEN1 (0.53) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL12371425 0.79 F10 (0.57) MAPTF10MEN1KMT2ATSHR
SCHEMBL5956892 0.79 SMN1; SMN2 (0.45) NPC1RAB9AMAPTF10LMNA
SCHEMBL12101339 0.78 F10 (0.41) NPC1ALDH1A1CFDKDM4EMAPT
SCHEMBL12371427 0.78 KLKB1 (0.49) NPC1RAB9AMAPTF10LMNA

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 2 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-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 ROCK2 3646/4885NPC1 3086/4885RAB9A 1664/4885

“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.