SCHEMBL786314

SCHEMBL786314

CNC1CCCN(c2ccncc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.56
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
HRH4 Q9H3N8 12/20 0.50
KDM1A O60341 1/20 0.48
MAOB P27338 1/20 0.48
CDC42BPA Q5VT25 1/20 0.46
CDC42BPB Q9Y5S2 1/20 0.46
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
PLD1 Q13393 1/20 0.43
PRKCZ Q05513 1/20 0.43
EHMT2 Q96KQ7 1/20 0.41

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
SCHEMBL784745 0.93 CHKA (0.53) CHKAROCK2ROCK1HRH4KDM1A
Hydrochloric Acid SCHEMBL785240 0.92 CHKA (0.52) CHKAROCK2ROCK1HRH4KDM1A
SCHEMBL784528 0.87 HRH4 (0.57) CHKAROCK2ROCK1HRH4CDC42BPA
Hydrochloric Acid SCHEMBL28805789 0.86 HRH4 (0.56) CHKAROCK2ROCK1HRH4CDC42BPA
SCHEMBL803326 0.83 HRH4 (0.59) HRH4
Hydrochloric Acid SCHEMBL784722 0.82 HRH4 (0.58) HRH4
SCHEMBL784752 0.80 CHKA (0.55) CHKAROCK2ROCK1HRH4KDM1A
SCHEMBL784698 0.78 KDM1A (0.61) CHKAKDM1AMAOBADRB2NCF1
Isophthalic Acid SCHEMBL27902599 0.77 PLOD2 (0.46) KDM1AMAOB
SCHEMBL784947 0.76 HRH4 (0.82) ROCK2ROCK1HRH4

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 CHKA 1330/4885ROCK2 3995/4885ROCK1 2491/4885

“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.