SCHEMBL12371458

SCHEMBL12371458

CO[C@H]1CN(C(=O)Nc2ccc(Cl)cn2)[C@@](C)(C(=O)Nc2ccc3c(c2)CCN(C)CC3)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.39
BACE1 P56817 11/20 0.38
BACE2 Q9Y5Z0 7/20 0.38
APP P05067 1/20 0.37
F2 P00734 1/20 0.36
F9 P00740 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
F7 P08709 1/20 0.36
PRSS3 P35030 1/20 0.36
FGFR4 P22455 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1F P30939 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
SCHEMBL12101318 0.98 DYRK1A (0.38) F10BACE1BACE2APPF2
SCHEMBL13104170 0.91 F10 (0.38) F10F2F9PRSS1PRSS2
SCHEMBL12371455 0.90 HTR2C (0.40) F10TP53SMN1; SMN2
SCHEMBL12371457 0.90 HTR2C (0.40) F10TP53SMN1; SMN2
SCHEMBL13104182 0.88 F10 (0.37) F10BACE1BACE2APPF2
SCHEMBL13104154 0.87 MEN1 (0.41) F10RAB9ANPC1TP53
SCHEMBL13104155 0.87 MEN1 (0.41) F10RAB9ANPC1TP53
SCHEMBL13104221 0.81 ROCK2 (0.37) BACE1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL13104213 0.81 ABCB1 (0.41) RAB9ANPC1MAPT
SCHEMBL3440721 0.80 CLK2 (0.41) TP53

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 1628/4885BACE1 1401/4885BACE2 2762/4885

“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.