SCHEMBL803304

SCHEMBL803304

CNCC1CCN(c2ccncn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.50
ROCK1 Q13464 2/20 0.50
GPR119 Q8TDV5 1/20 0.46
SORD Q00796 1/20 0.46
F10 P00742 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
LSS P48449 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
RIPK1 Q13546 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
CHEK1 O14757 1/20 0.38
CHEK2 O96017 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
DRD4 P21917 1/20 0.38
RPS6KB1 P23443 1/20 0.37

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 SCHEMBL784901 0.99 ROCK2 (0.49) ROCK2ROCK1GPR119SORDF10
SCHEMBL12424487 0.83 GPR119 (0.49) GPR119SORDF10JAK2JAK1
SCHEMBL27920414 0.81 GPR119 (0.48) GPR119SORDF10LSSRIPK1
SCHEMBL13744594 0.81 GPR119 (0.50) GPR119SORDF10JAK2JAK1
SCHEMBL803347 0.80 GPR119 (0.49) ROCK2ROCK1GPR119SORDJAK2
SCHEMBL6066639 0.80 CHEK1 (0.52) ROCK2ROCK1GPR119SORDJAK2
SCHEMBL4771414 0.80 SORD (0.49) GPR119SORDF10JAK2JAK1
SCHEMBL16597339 0.80 SORD (0.56) GPR119SORDJAK2JAK1TYK2
Hydrochloric Acid SCHEMBL19639676 0.79 GPR119 (0.48) ROCK2ROCK1GPR119SORDJAK2
Hydrochloric Acid SCHEMBL785329 0.79 GPR119 (0.48) ROCK2ROCK1GPR119SORDJAK2

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 5 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
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

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 ROCK2 3995/4885ROCK1 2491/4885GPR119 698/4885

“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.