SCHEMBL12371447

SCHEMBL12371447

CO[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)CCN(C)CC3)N(C(=O)Nc2ccc(C(C)C)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.40
CFD P00746 3/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
COL1A1 P02452 1/20 0.39
KLKB1 P03952 1/20 0.38
ROCK2 O75116 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL8471226 0.91 F10 (0.54) F10KMT2ASMN1; SMN2POLBTSHR
SCHEMBL14434228 0.90 F10 (0.44) F10NPC1RAB9AKMT2AMAPT
SCHEMBL8470652 0.89 HCRTR1 (0.50) F10NPC1RAB9AKMT2AMAPT
SCHEMBL15436018 0.89 F10 (0.48) F10NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12371419 0.89 HCRTR1 (0.50) F10NPC1RAB9AKMT2AMAPT
SCHEMBL12371451 0.89 F10 (0.48) F10NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12101291 0.88 F10 (0.52) F10KMT2ASMN1; SMN2POLBTSHR
SCHEMBL13104152 0.88 F10 (0.52) F10KMT2ASMN1; SMN2POLBTSHR
SCHEMBL12101293 0.87 F10 (0.53) F10KMT2ASMN1; SMN2POLBTSHR
SCHEMBL12371438 0.87 NPC1 (0.47) F10NPC1RAB9AKMT2AMAPT

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 1628/4885NPC1 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.