SCHEMBL785776

SCHEMBL785776

CN(C)c1ncc2c(n1)CCNC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR2C P28335 14/20 0.45
HTR2B P41595 10/20 0.38
CYP3A4 P08684 1/20 0.37
HTR2A P28223 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR3A P46098 1/20 0.36
HTR6 P50406 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
CDK6 Q00534 1/20 0.33
HPGD P15428 1/20 0.33
PNMT P11086 1/20 0.32
CD44 P16070 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL1622227 0.88 HTR2C (0.48) POLBSMN1; SMN2HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL1622905 0.87 HTR2C (0.47) POLBSMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL2809677 0.84 HSD17B10 (0.36) POLBSMN1; SMN2HTR2CCYP3A4HSP90AA1
Hydrochloric Acid SCHEMBL28410160 0.83 HSD17B10 (0.35) POLBSMN1; SMN2HTR2CCYP3A4HSP90AA1
SCHEMBL4135011 0.77 POLB (0.51) POLBSMN1; SMN2HTR2CHTR2BCYP3A4
SCHEMBL6287137 0.76 HTR2C (0.54) POLBSMN1; SMN2HTR2CHTR2BCYP3A4
Hydrochloric Acid SCHEMBL7009040 0.76 POLB (0.50) POLBSMN1; SMN2HTR2CHTR2BCYP3A4
SCHEMBL17149783 0.75 CDK5 (0.44) HSP90AA1CDK2CDK6HPGDMAOB
SCHEMBL12878847 0.74 POLB (0.51) POLBSMN1; SMN2HTR2CHTR2BCYP3A4
SCHEMBL30790976 0.74 POLB (0.51) POLBSMN1; SMN2HTR2CHTR2BCYP3A4

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 POLB 3355/4885SMN1; SMN2 2971/4885HTR2C 549/4885

“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.