SCHEMBL8225736

SCHEMBL8225736

CO[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)CCN(C)[C@H]3C)N(C(=O)Nc2ccc(Br)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ CFD P00746 4/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ DRD1 P21728 1/20 0.36

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
SCHEMBL12101342 1.00 F10 (0.43) F10KMT2ACFDNPC1POLB
SCHEMBL8222144 0.91 F10 (0.52) F10KMT2ACFDNPC1POLB
SCHEMBL12101340 0.91 F10 (0.52) F10KMT2ACFDNPC1POLB
SCHEMBL8227386 0.91 F10 (0.52) F10KMT2ACFDNPC1POLB
SCHEMBL12101341 0.91 F10 (0.43) F10KMT2ACFDNPC1POLB
SCHEMBL12371502 0.89 F10 (0.41) F10KMT2ACFDNPC1POLB
SCHEMBL12371492 0.88 F10 (0.43) F10KMT2ACFDNPC1KDM4E
SCHEMBL12371490 0.87 F10 (0.42) F10KMT2ACFDNPC1KDM4E
SCHEMBL8222128 0.85 F10 (0.43) F10KMT2ACFDNPC1KDM4E
SCHEMBL12101392 0.85 F10 (0.43) F10KMT2ACFDNPC1KDM4E

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-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
WO-2007131982-A2 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 — — 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-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS PPID, PREP, P4HA1 F10 2294/4885KMT2A 2700/4885CFD 181/4885

“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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