SCHEMBL12371473

SCHEMBL12371473

CN1CCc2ccc(NC(=O)[C@H]3C[C@@H](Oc4ccc(F)cc4)CN3C(=O)Nc3ccc(Cl)cc3)cc2CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.46
EPHX2 P34913 1/20 0.43
LHCGR P22888 2/20 0.42
CFTR P13569 1/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.40
CCR1 P32246 2/20 0.40
CCR3 P51677 1/20 0.40
KLKB1 P03952 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
SCHEMBL13104206 0.98 F10 (0.44) F10EPHX2LHCGRCFTRTSHR
SCHEMBL12101397 0.98 F10 (0.44) F10EPHX2LHCGRCFTRTSHR
SCHEMBL15436018 0.87 F10 (0.48) F10TSHRKMT2AKLKB1
SCHEMBL12371451 0.87 F10 (0.48) F10TSHRKMT2AKLKB1
SCHEMBL8471226 0.87 F10 (0.54) F10TSHRKMT2ACYP2C9KLKB1
SCHEMBL13104152 0.84 F10 (0.52) F10CFTRTSHRKMT2ACYP2C9
SCHEMBL13104224 0.84 F10 (0.46) F10KMT2AKLKB1
SCHEMBL12101291 0.84 F10 (0.52) F10CFTRTSHRKMT2ACYP2C9
SCHEMBL8224896 0.84 F10 (0.46) F10KMT2AKLKB1
SCHEMBL12371471 0.84 F10 (0.46) F10TSHRKMT2ACYP2C9

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 1628/4885EPHX2 4019/4885LHCGR 514/4885

“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.