SCHEMBL2633407

SCHEMBL2633407

CC(C)(C)NCc1ccc2c(c1)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.42
PDE5A O76074 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
CHEK1 O14757 1/20 0.39
PKM P14618 1/20 0.39
MAPK14 Q16539 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDE2A O00408 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
RXRB P28702 1/20 0.38

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
SCHEMBL14272132 0.79 CHEK1 (0.41) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL19249393 0.79 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EPDE5AGAA
SCHEMBL1725535 0.78 OPRK1 (0.49) ALDH1A1MAPT
SCHEMBL1254155 0.77 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EPDE5AGAA
SCHEMBL6365663 0.77 BDKRB1 (0.43)
SCHEMBL1724631 0.77 BDKRB1 (0.43)
SCHEMBL17350026 0.77 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL3534385 0.76 BDKRB1 (0.49)
Hydrochloric Acid SCHEMBL4887374 0.76 S1PR3 (0.36) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL13146581 0.76 PDE2A (0.45) ALDH1A1MAPTKDM4EGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 ALDH1A1 2169/4885MAPT 4077/4885KDM4E 3525/4885

“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.