SCHEMBL2415258

SCHEMBL2415258

O=C(CN1CCn2cccc2C1c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
POLB P06746 3/20 0.47
HTR7 P34969 1/20 0.47
DRD4 P21917 2/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
S1PR4 O95977 1/20 0.45
MAPT P10636 1/20 0.45
S1PR1 P21453 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ATM Q13315 2/20 0.43
FAAH O00519 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL2420767 0.91 LMNA (0.54) LMNAPOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL2423221 0.86 KMT2A (0.49) LMNAPOLBHTR7ALDH1A1SMN1; SMN2
SCHEMBL2418291 0.86 LMNA (0.56) LMNAPOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL2415943 0.84 GRM5 (0.42) LMNAHTR7DRD4ALDH1A1SMN1; SMN2
SCHEMBL2419711 0.83 SIGMAR1 (0.60) POLBMEN1KMT2ASIGMAR1
SCHEMBL27783283 0.82 SIGMAR1 (0.41) DRD4ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL2418297 0.79 ALDH1A1 (0.36) LMNAPOLBALDH1A1MAPTMEN1
SCHEMBL2423380 0.78 KMT2A (0.50) LMNAPOLBALDH1A1MAPTHTT
SCHEMBL2418792 0.78 MAPT (0.53) LMNAPOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL2421891 0.77 ALDH1A1 (0.55) LMNAPOLBALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017772-B2 Substituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain GRUENENTHAL GMBH (DE) 2011-09-13 US claimed
US-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN GRUENENTHAL GMBH (DE) 2010-01-07 US claimed
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 claimed
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 claimed
US-8017772-B2 Substituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain GRUENENTHAL GMBH (DE) 2011-09-13 US disclosed
US-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN GRUENENTHAL GMBH (DE) 2010-01-07 US disclosed
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 (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-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN KCNQ2, KCNQ1, KCNJ2 LMNA 2185/4885POLB 4056/4885HTR7 637/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 LMNA 2185/4885POLB 4056/4885HTR7 637/4885

“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.