SCHEMBL785227

SCHEMBL785227

CN(C(=O)c1ccc2c(c1)[C@H](N(C)C(=O)CCC1CCCC1)CC2)C1CCN(c2ccncc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
MCHR1 Q99705 3/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
ITK Q08881 2/20 0.34
CCR5 P51681 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
USP30 Q70CQ3 3/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 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
SCHEMBL783986 0.87 F10 (0.42) KMT2APOLBMCHR1CCR5TMEM97
SCHEMBL785205 0.82 F10 (0.43) POLBITKTMEM97CNR2
SCHEMBL785400 0.81 POLB (0.40) POLBTMEM97CNR2
SCHEMBL785043 0.81 POLB (0.40) POLBMCHR1ITKTMEM97CNR2
SCHEMBL785891 0.75 F10 (0.41) POLBMCHR1CCR5TMEM97JAK2
SCHEMBL784751 0.74 ALDH1A1 (0.40) MEN1KMT2AMCHR1TMEM97SMN1; SMN2
SCHEMBL784750 0.74 ALDH1A1 (0.40) MEN1KMT2AMCHR1TMEM97SMN1; SMN2
SCHEMBL784703 0.74 HTR1A (0.35) MEN1KMT2APOLBMCHR1GPR119
SCHEMBL785635 0.74 POLB (0.44) POLBMCHR1CCR5CNR2HPGD
SCHEMBL784595 0.73 ALDH1A1 (0.38) KMT2APOLBMCHR1CCR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 MEN1 2563/4885KMT2A 2222/4885POLB 3355/4885

“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.