SCHEMBL4483897

SCHEMBL4483897

O=C(CCN1CCn2cccc2C1c1ccccc1)C(=O)NCc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
APEX1 P27695 1/20 0.38
CASP6 P55212 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 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
SCHEMBL2422600 0.78 MAPT (0.48) ALDH1A1MAPTKMT2AKDM4EPOLB
SCHEMBL2415260 0.70 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL2421130 0.67 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL1266795 0.67 ALDH1A1 (0.61) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL11485475 0.66 MAPT (0.60) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL6369627 0.66 MAPT (0.55) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL11484185 0.66 MAPT (0.47) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL2422479 0.65 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL18415485 0.65 POLB (0.72) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL2417739 0.63 KMT2A (0.52) ALDH1A1MAPTKMT2AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625900-B2 Sutstituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain GRUENENTHAL GMBH (DE) 2009-12-01 US disclosed
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain GRUENENTHAL GMBH (DE) 2008-07-10 US 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-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 ALDH1A1 2817/4885MAPT 1735/4885KMT2A 770/4885

“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.