Sugi Predict

Sugi Predict / Compounds / SCHEMBL2996852

SCHEMBL2996852

SCHEMBL2996852

C1CN[C@@H](c2nn[nH]n2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CHRM5 P08912 4/20 0.34
▸ CHRM3 P20309 4/20 0.34
▸ CHRM2 P08172 4/20 0.34
▸ CHRM1 P11229 3/20 0.34
▸ CHRM4 P08173 3/20 0.34
▸ GRIK1 P39086 1/20 0.34
▸ GRIA1 P42261 1/20 0.34
▸ GRIA2 P42262 1/20 0.34
▸ GRIA3 P42263 1/20 0.34
▸ GRIA4 P48058 1/20 0.34
▸ GRIK2 Q13002 1/20 0.34
▸ GRIK3 Q13003 1/20 0.34
▸ GRIK4 Q16099 1/20 0.34
▸ GRIK5 Q16478 1/20 0.34

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
SCHEMBL12959031 1.00 CHRNB2 (0.37) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL2994668 1.00 CHRNB2 (0.37) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL19689032 0.94 MEN1 (0.39) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL17791781 0.78 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL15747950 0.72 MEN1 (0.46) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL22746304 0.69 CHRM2 (0.42) CHRNB2CHRNA7CHRNA4L3MBTL1CHRM5
SCHEMBL2390625 0.69 GRIK1 (0.38) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2390618 0.69 GRIK1 (0.38) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2392054 0.69 GRIK1 (0.38) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3921349 0.67 CHRNB2 (0.52) CHRNB2CHRNA7CHRNA4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES SEDELMEIER GOTTFRIED 2010-07-22 — — US disclosed
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES SEDELMEIER GOTTFRIED 2010-07-22 — — US disclosed
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES SEDELMEIER GOTTFRIED 2010-07-22 — — US disclosed
EP-2027110-A2 MGLUR5 MODULATORS III Astra Zeneca AB (SE) 2009-02-25 — — EP disclosed
US-20080200687-A1 Preparation of Terazole Derivatives SEDELMEIER GOTTFRIED 2008-08-21 — — US disclosed
US-20080200687-A1 Preparation of Terazole Derivatives SEDELMEIER GOTTFRIED 2008-08-21 — — US disclosed
US-20080200687-A1 Preparation of Terazole Derivatives SEDELMEIER GOTTFRIED 2008-08-21 — — US disclosed
EP-1907378-A1 PREPARATION OF TERAZOLE DERIVATIVES Novartis AG (CH) 2008-04-09 — — EP disclosed
WO-2007130822-A2 MGLUR5 MODULATORS III ASTRAZENECA AB (SE) 2007-11-15 — — WO disclosed
WO-2007009716-A1 PREPARATION OF TERAZOLE DERIVATIVES NOVARTIS AG (CH) 2007-01-25 — — 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 (2 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-20080200687-A1 Preparation of Terazole Derivatives TERB1, TALDO1, TERT CHRNB2 3403/4885CHRNA7 1808/4885CHRNA4 2558/4885
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES TERB1, TALDO1, TERT CHRNB2 3403/4885CHRNA7 1808/4885CHRNA4 2558/4885

“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.