SCHEMBL1110183

SCHEMBL1110183

CN(C)CCNc1cn[c]cn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.45
▸ DNM2 P50570 10/20 0.43
▸ HRH4 Q9H3N8 1/20 0.42
▸ GAA P10253 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ TDO2 P48775 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ TOP2A P11388 1/20 0.35
▸ BPTF Q12830 1/20 0.35

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
SCHEMBL970114 0.79 HCAR3 (0.45) CYP2C19
SCHEMBL933094 0.74 CYP2C19 (0.56) CYP2C19HRH3DNM2HRH4GAA
SCHEMBL971904 0.73 HCAR3 (0.30) —
SCHEMBL30775226 0.73 CYP2C19 (0.59) CYP2C19HRH3DNM2HRH4
SCHEMBL11461176 0.73 CYP2C19 (0.59) CYP2C19HRH3DNM2HRH4
SCHEMBL1110241 0.71 CYP2C19 (0.49) CYP2C19HRH3DNM2HRH4GAA
SCHEMBL1515017 0.70 — —
SCHEMBL933805 0.68 CYP2C19 (0.44) CYP2C19HRH3DNM2HRH4GAA
SCHEMBL12060 0.68 CYP2C19 (0.57) CYP2C19HRH3DNM2HRH4GAA
SCHEMBL11463713 0.68 HRH3 (0.49) CYP2C19HRH3DNM2HRH4PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US claimed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 — — US disclosed
EP-2279173-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-02 — — EP disclosed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 — — 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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 CYP2C19 272/4885HRH3 811/4885DNM2 4298/4885

“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.

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