SCHEMBL12371451

SCHEMBL12371451

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.48
KMT2A Q03164 4/20 0.47
CFD P00746 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.42
KLKB1 P03952 1/20 0.41
THRB P10828 1/20 0.40
ALOX12 P18054 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL15436018 1.00 F10 (0.48) F10KMT2ACFDNPC1RAB9A
SCHEMBL8224896 0.97 F10 (0.46) F10KMT2ACFDNPC1RAB9A
SCHEMBL13104224 0.97 F10 (0.46) F10KMT2ACFDNPC1RAB9A
SCHEMBL8470652 0.90 HCRTR1 (0.50) F10KMT2ANPC1RAB9AMEN1
SCHEMBL12371419 0.90 HCRTR1 (0.50) F10KMT2ANPC1RAB9AMEN1
SCHEMBL8471226 0.90 F10 (0.54) F10KMT2ACFDMEN1KLKB1
SCHEMBL14434230 0.90 F10 (0.47) F10KMT2ACFDNPC1RAB9A
SCHEMBL15436220 0.89 F10 (0.46) F10KMT2ACFDNPC1RAB9A
SCHEMBL12371450 0.89 F10 (0.46) F10KMT2ACFDNPC1RAB9A
SCHEMBL12371438 0.89 NPC1 (0.47) F10KMT2ACFDNPC1RAB9A

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 1628/4885KMT2A 3794/4885CFD 343/4885

“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.