SCHEMBL131285

SCHEMBL131285

OCC1NCCn2cccc21

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 5/20 0.54
MAPT P10636 7/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.41
ADRA2C P18825 1/20 0.38
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL2751725 0.83 KDM4E (0.54) ALDH1A1KDM4EMAPTGAATP53
SCHEMBL2123290 0.80 KDM4E (0.51) ALDH1A1KDM4EMAPTGAATP53
SCHEMBL2425151 0.80 KDM4E (0.59) ALDH1A1KDM4EMAPTGAATP53
SCHEMBL1726631 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAATP53
SCHEMBL11495279 0.79 KDM4E (0.50) ALDH1A1KDM4EMAPTGAATP53
SCHEMBL2753676 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTGAATP53
SCHEMBL132179 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTGAATP53
SCHEMBL4047339 0.71 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTGAAADRA2C
SCHEMBL1267159 0.70 KDM4E (1.00) ALDH1A1KDM4EMAPTGAATP53
SCHEMBL2752760 0.70 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTGAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 EP disclosed
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 EP disclosed
EP-2611810-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES Grünenthal GmbH (DE) 2013-07-10 EP disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 US disclosed
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 US disclosed
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 US disclosed
WO-2012028331-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES Grünenthal GmbH (DE) 2012-03-08 WO disclosed
EP-2403854-A1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS Grünenthal GmbH (DE) 2012-01-11 EP disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
WO-2010099938-A1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS Grünenthal GmbH (DE) 2010-09-10 WO disclosed
WO-2010099938-A1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS Grünenthal GmbH (DE) 2010-09-10 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-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds BDKRB1, BDKRB2, LTB4R ALDH1A1 2754/4885KDM4E 4622/4885MAPT 1632/4885
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 ALDH1A1 2169/4885KDM4E 3525/4885MAPT 4077/4885

“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.