SCHEMBL785334

SCHEMBL785334

CNC1CCN(c2ncnc3ccccc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.70
HTT P42858 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
HRH4 Q9H3N8 1/20 0.62
HRH1 P35367 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
PTK2 Q05397 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.51
KIT P10721 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT3 P36888 1/20 0.51
GBA1 P04062 1/20 0.49
RAB9A P51151 1/20 0.49
MALT1 Q9UDY8 1/20 0.47
SORD Q00796 1/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
STK4 Q13043 1/20 0.46
STK3 Q13188 1/20 0.46
LRRK2 Q5S007 1/20 0.46

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
Hydrochloric Acid SCHEMBL8690819 0.99 LMNA (0.72) LMNAHTTSMN1; SMN2HRH4HRH1
SCHEMBL6528468 0.82 LMNA (0.73) LMNAHTTSMN1; SMN2HRH4HRH1
Hydrochloric Acid SCHEMBL8131399 0.81 LMNA (0.97) LMNAHTTSMN1; SMN2HRH4HRH1
SCHEMBL2798904 0.81 LMNA (0.71) LMNAHTTSMN1; SMN2HRH4HRH1
SCHEMBL29230280 0.79 LMNA (0.57) LMNAHTTSMN1; SMN2HRH4HRH1
SCHEMBL11015775 0.78 PTK2 (0.73) LMNAHTTSMN1; SMN2HRH4HRH1
SCHEMBL30945062 0.77 LMNA (0.55) LMNAHTTSMN1; SMN2HRH4HRH1
SCHEMBL2794592 0.77 LMNA (0.55) LMNAHTTSMN1; SMN2HRH4HRH1
SCHEMBL12844776 0.77 HRH4 (1.00) LMNAHTTSMN1; SMN2HRH4HRH1
SCHEMBL28661982 0.77 ADRB2 (0.58) LMNAHTTSMN1; SMN2HRH4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP 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-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 LMNA 1463/4885HTT 2709/4885SMN1; SMN2 2971/4885

“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.