SCHEMBL2629477

SCHEMBL2629477

c1ccc(CN2CCC3(CCN(C4CC4)C3)C2)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.57
CYP3A4 P08684 8/20 0.57
TSHR P16473 6/20 0.57
USP2 O75604 3/20 0.54
CYP1A2 P05177 2/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL4125464 0.88 TSHR (0.54) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL5243003 0.86 CYP2D6 (0.67) CYP2D6CYP3A4TSHRUSP2CYP1A2
SCHEMBL4143448 0.84 ALDH1A1 (0.59) CYP2D6CYP3A4TSHRUSP2MEN1
SCHEMBL1732446 0.81 CYP2D6 (0.65) CYP2D6CYP3A4TSHRUSP2CYP1A2
SCHEMBL24798656 0.80 CYP2D6 (0.68) CYP2D6CYP3A4TSHRUSP2CYP1A2
SCHEMBL24798927 0.80 CYP2D6 (0.68) CYP2D6CYP3A4TSHRUSP2CYP1A2
SCHEMBL14218795 0.78 CYP2D6 (0.60) CYP2D6CYP3A4TSHRUSP2CYP1A2
SCHEMBL31015335 0.78 CHRM3 (0.53) CYP2D6CYP3A4TSHRUSP2CYP1A2
SCHEMBL20179582 0.78 ACHE (0.61) CYP2D6CYP3A4TSHRUSP2CYP1A2
SCHEMBL26016859 0.78 CYP2D6 (0.58) CYP2D6CYP3A4TSHRUSP2CYP1A2

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 6 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
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-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

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 CYP2D6 721/4885CYP3A4 984/4885TSHR 276/4885

“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.