SCHEMBL785168

SCHEMBL785168

Cc1cc(N2CCC(CCN)CC2)nc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORD Q00796 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
ENPP1 P22413 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
PTPN11 Q06124 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNH2 Q12809 2/20 0.40
GPR119 Q8TDV5 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
SUV39H2 Q9H5I1 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 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
SCHEMBL12452908 0.80 HRH3 (0.50) SORDSMN1; SMN2CRHBPCRHR2HRH4
SCHEMBL792754 0.79 SORD (0.45) SORDSMN1; SMN2CRHBPCRHR2HRH4
SCHEMBL16222432 0.78 SMN1; SMN2 (0.60) SORDSMN1; SMN2CRHBPCRHR2HRH4
Hydrochloric Acid SCHEMBL4418429 0.75 HTR3E (0.53) GAAALOX15PTPN11ALDH1A1KMT2A
SCHEMBL785340 0.75 ALDH1A1 (0.47) SORDSMN1; SMN2CRHBPCRHR2LMNA
SCHEMBL10169427 0.74 HRH3 (0.55) SORDSMN1; SMN2CRHBPCRHR2HRH4
SCHEMBL784749 0.74 HRH4 (0.61) SORDSMN1; SMN2HRH4LMNAL3MBTL1
SCHEMBL784769 0.73 HRH3 (0.55) SORDSMN1; SMN2CRHBPCRHR2HRH4
SCHEMBL10169430 0.73 TDP1 (0.67) SORDSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL14872339 0.73 CRHBP (0.59) SORDSMN1; SMN2CRHBPCRHR2HRH4

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 9 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
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 SORD 1599/4885SMN1; SMN2 2971/4885CRHBP 1061/4885

“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.