SCHEMBL2417022

SCHEMBL2417022

O=C(CN1CCn2cccc2C1c1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
PLA2G1B P04054 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
CCR1 P32246 6/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL2421117 0.92 POLB (0.50) LMNAMEN1CYP3A4KMT2APOLB
SCHEMBL2416404 0.91 POLB (0.46) KMT2APOLBL3MBTL1NPC1RAB9A
SCHEMBL2415510 0.86 POLB (0.41) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL2417348 0.85 ADRA2C (0.46) LMNAHPGDMEN1PLA2G1BCYP1A2
SCHEMBL2423078 0.85 POLB (0.46) HPGDMEN1KMT2APOLBNPC1
SCHEMBL2419639 0.83 KMT2A (0.49) HPGDMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2418792 0.79 MAPT (0.53) LMNAHPGDMEN1GAAKMT2A
SCHEMBL2420525 0.79 ALDH1A1 (0.48) LMNAMEN1CYP3A4GAAKMT2A
SCHEMBL2416409 0.77 ALDH1A1 (0.47) MEN1CYP3A4GAAKMT2APOLB
SCHEMBL2417739 0.77 KMT2A (0.52) HPGDMEN1GAAKMT2APOLB

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 2185/4885HPGD 697/4885MEN1 3558/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 LMNA 2185/4885HPGD 697/4885MEN1 3558/4885

“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.