SCHEMBL3276708

SCHEMBL3276708

CCN(CC)c1cc(C(=N)NO)cc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.38
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1180185 0.86 MAPT (0.35) KMT2AMAPT
SCHEMBL1179561 0.82 MEN1 (0.42) KMT2ALMNA
SCHEMBL1179224 0.79 GAA (0.37) KMT2ALMNA
SCHEMBL3280184 0.77 HRH4 (0.31)
SCHEMBL1178817 0.76 NOS3 (0.34) LMNAS1PR1S1PR3
SCHEMBL1424802 0.76 CRHR1 (0.43) CRHR1ADORA2AADORA1KDM4EKMT2A
SCHEMBL1425119 0.75 KDM4E (0.35) CRHR1ADORA2AADORA1KDM4EKMT2A
SCHEMBL4403835 0.75 GBA1 (0.37) KDM4EKMT2ALMNAMAPT
SCHEMBL1425591 0.75 KMT2A (0.48) CRHR1ADORA2AADORA1KDM4EKMT2A
Hydrochloric Acid SCHEMBL1425014 0.74 CRHR1 (0.42) CRHR1ADORA2AADORA1KDM4EKMT2A

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
EP-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP disclosed
US-8592460-B2 Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-26 US disclosed
US-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US disclosed
EP-2125797-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008114157-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-09-25 WO 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-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR4 CRHR1 640/4885ADORA2A 91/4885ADORA1 26/4885

“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.