SCHEMBL784769

SCHEMBL784769

CCNC1CCN(c2cc(C)nc(C)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.55
HRH4 Q9H3N8 4/20 0.47
SORD Q00796 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
KCNH2 Q12809 2/20 0.40
GPR119 Q8TDV5 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10169329 0.92 HRH3 (0.59) HRH3HRH4SORDAKT1
SCHEMBL784749 0.83 HRH4 (0.61) HRH3HRH4SORDSMN1; SMN2LMNA
SCHEMBL16222432 0.78 SMN1; SMN2 (0.60) HRH4SORDSMN1; SMN2LMNAALDH1A1
SCHEMBL793101 0.78 HRH4 (0.74) HRH3HRH4
SCHEMBL12452908 0.76 HRH3 (0.50) HRH3HRH4SORDSMN1; SMN2LMNA
SCHEMBL27920493 0.74 SORD (0.50) HRH3HRH4SORDSMN1; SMN2LMNA
SCHEMBL785168 0.73 SORD (0.45) HRH3HRH4SORDSMN1; SMN2LMNA
SCHEMBL792754 0.73 SORD (0.45) HRH4SORDSMN1; SMN2LMNAALDH1A1
SCHEMBL5790244 0.73 SMN1; SMN2 (0.65) HRH4SORDSMN1; SMN2LMNAALDH1A1
SCHEMBL14872339 0.73 CRHBP (0.59) HRH4SORDSMN1; SMN2LMNAALDH1A1

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 10 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 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
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO 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 HRH3 9/4885HRH4 5/4885SORD 1599/4885

“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.