SCHEMBL13104233

SCHEMBL13104233

CO[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)C(C)(C)CN(C)C3)N(C(=O)Nc2ccc(Br)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.42
▸ CFD P00746 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ COL1A1 P02452 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33

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
SCHEMBL12371498 0.92 F10 (0.41) F10CFDMEN1KMT2AKDM4E
SCHEMBL12101302 0.91 F10 (0.41) F10CFDMEN1KMT2AKDM4E
SCHEMBL12101392 0.85 F10 (0.43) F10CFDMEN1KMT2AKDM4E
SCHEMBL8222128 0.85 F10 (0.43) F10CFDMEN1KMT2AKDM4E
SCHEMBL12892314 0.85 F10 (0.43) F10CFDMEN1KMT2AKDM4E
SCHEMBL13104352 0.83 F10 (0.42) F10CFDMEN1KMT2AKDM4E
SCHEMBL8220410 0.83 F10 (0.42) F10CFDMEN1KMT2AKDM4E
SCHEMBL14434666 0.83 F10 (0.41) F10CFDMEN1KMT2AKLKB1
SCHEMBL12371495 0.83 F10 (0.41) F10CFDMEN1KMT2AKDM4E
SCHEMBL12101412 0.83 F10 (0.35) F10CFDKLKB1

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-7807693-B2 Substituted prolinamides, manufacturing, and the use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-05 — — US disclosed
US-7807693-B2 Substituted prolinamides, manufacturing, and the use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-05 — — US disclosed
US-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2008-06-12 — — US disclosed
US-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2008-06-12 — — 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-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS PPID, PREP, P4HA1 F10 2294/4885CFD 181/4885MEN1 1199/4885

“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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