SCHEMBL12371435

SCHEMBL12371435

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.49
▸ KLKB1 P03952 1/20 0.45
▸ DRD2 P14416 6/20 0.40
▸ DRD3 P35462 6/20 0.40
▸ HTR1A P08908 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CFD P00746 2/20 0.39
▸ MET P08581 2/20 0.39
▸ ALK Q9UM73 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL12371434 1.00 F10 (0.49) F10KLKB1DRD2DRD3HTR1A
SCHEMBL12371437 0.93 F10 (0.49) F10KLKB1TSHRCFDPOLB
SCHEMBL12371436 0.93 F10 (0.49) F10KLKB1TSHRCFDPOLB
SCHEMBL12371503 0.92 F10 (0.41) F10KLKB1TSHRCFDMET
SCHEMBL14434665 0.92 F10 (0.41) F10KLKB1DRD2DRD3HTR1A
SCHEMBL8471226 0.90 F10 (0.54) F10KLKB1DRD2DRD3HTR1A
SCHEMBL12101360 0.89 F10 (0.52) F10KLKB1TSHRCFDPOLB
SCHEMBL12101293 0.89 F10 (0.53) F10KLKB1DRD2DRD3TSHR
SCHEMBL12101291 0.88 F10 (0.52) F10KLKB1DRD2DRD3TSHR
SCHEMBL13104152 0.88 F10 (0.52) F10KLKB1DRD2DRD3TSHR

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 5 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
WO-2007093595-A1 SUBSTITUTED PROLINAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-23 — — WO 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 1628/4885KLKB1 2049/4885DRD2 291/4885

“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.

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