SCHEMBL1748810

SCHEMBL1748810

Cc1cn(Cc2ccccc2)c(C(=O)N2CCNCC2)c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTR7 P34969 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
CNR2 P34972 2/20 0.38
FABP6 P51161 1/20 0.38
CNR1 P21554 1/20 0.38
HPGD P15428 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
SCHEMBL15511503 0.87 ALDH1A1 (0.51) TP53MDM2MEN1KMT2A
SCHEMBL1032537 0.85 CNR2 (0.53) TP53HTR7MEN1KMT2ACNR2
SCHEMBL1031513 0.83 MEN1 (0.49) TP53MEN1KMT2A
SCHEMBL1031060 0.82 CYP2C9 (0.43) SIGMAR1MEN1KMT2ACNR1HPGD
SCHEMBL2637458 0.81 NOTUM (0.43) TP53MEN1KMT2AHPGD
SCHEMBL1028097 0.81 SMN1; SMN2 (0.52) MEN1KMT2AHPGD
SCHEMBL1030745 0.81 HSD11B1 (0.49) TP53MEN1KMT2ACNR1
SCHEMBL1031616 0.81 GRM5 (0.47) MEN1KMT2AHPGD
SCHEMBL1030188 0.81 P2RX7 (0.46) MEN1KMT2A
SCHEMBL1031590 0.80 CRHBP (0.39) TP53MEN1KMT2ACNR2FABP6

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-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 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-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 SCN5A 723/4885SCN2A 626/4885SCN10A 290/4885

“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.