SCHEMBL8225519

SCHEMBL8225519

O=C1NCCc2ccc(NC(=O)[C@H]3CCCN3C(=O)Nc3ccc(Cl)cc3)cc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.48
F7 P08709 1/20 0.48
PARP1 P09874 1/20 0.48
F3 P13726 1/20 0.48
PARP10 Q53GL7 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RHOC P08134 1/20 0.48
RHOA P61586 1/20 0.48
CCR1 P32246 3/20 0.46
F10 P00742 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL12371424 0.80 TSHR (0.59) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8482771 0.80 TSHR (0.59) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3830304 0.75 CCR1 (0.68) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13725967 0.73 F10 (0.53) TSHRL3MBTL1MEN1KMT2ARHOC
SCHEMBL31188257 0.72 CYP2C9 (0.56) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8273019 0.72 RHOC (0.58) TSHRL3MBTL1ALDH1A1RHOCRHOA
SCHEMBL31188242 0.72 CYP2C9 (0.56) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3832189 0.72 RHOC (0.58) TSHRL3MBTL1ALDH1A1RHOCRHOA
SCHEMBL5734080 0.72 THRB (0.75) L3MBTL1KMT2ACCR1CYP2C9CYP2C19
SCHEMBL20446598 0.72 THRB (0.75) L3MBTL1KMT2ACCR1CYP2C9CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051975-B1 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP disclosed
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 TSHR 2345/4885L3MBTL1 2172/4885ALDH1A1 1325/4885

“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.