SCHEMBL2420767

SCHEMBL2420767

Cc1ccc(C2c3cccn3CCN2CC(=O)N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
ALDH1A1 P00352 8/20 0.45
MAPK1 P28482 1/20 0.45
FAAH O00519 1/20 0.44
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
S1PR4 O95977 1/20 0.42
MAPT P10636 1/20 0.42
S1PR1 P21453 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL2415258 0.91 LMNA (0.47) LMNASMN1; SMN2ALDH1A1FAAHPOLB
SCHEMBL2421891 0.85 ALDH1A1 (0.55) LMNASMN1; SMN2ALDH1A1POLBGAA
SCHEMBL2418877 0.84 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1POLBMCHR1L3MBTL1
SCHEMBL2423221 0.83 KMT2A (0.49) LMNASMN1; SMN2ALDH1A1POLBATM
SCHEMBL27761546 0.82 LMNA (0.42) LMNASMN1; SMN2ALDH1A1MAPK1FAAH
SCHEMBL2417739 0.79 KMT2A (0.52) SMN1; SMN2ALDH1A1MAPK1POLBGAA
SCHEMBL2421894 0.78 ALDH1A1 (0.36) LMNASMN1; SMN2ALDH1A1MAPK1GAA
SCHEMBL2418291 0.78 LMNA (0.56) LMNASMN1; SMN2ALDH1A1MAPK1POLB
SCHEMBL2419623 0.77 MAPT (0.53) LMNASMN1; SMN2ALDH1A1MAPK1POLB
SCHEMBL2419711 0.75 SIGMAR1 (0.60) POLBMEN1KMT2A

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 2185/4885SMN1; SMN2 853/4885ALDH1A1 2817/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 LMNA 2185/4885SMN1; SMN2 853/4885ALDH1A1 2817/4885

“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.