SCHEMBL1749368

SCHEMBL1749368

Cc1ccc(-c2c(C)cn(C)c2C2CN(c3ncnc4sccc34)CC[N]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.39
MEN1 O00255 1/20 0.39
STAT3 P40763 6/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR2F2 P24468 4/20 0.36
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
PIK3CD O00329 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GALR3 O60755 1/20 0.33

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
SCHEMBL1027235 0.73 HRH1 (0.47) HTR2CHRH1MEN1STAT3HTT
SCHEMBL12789895 0.65 MEN1 (0.71) HTR2CHRH1MEN1STAT3HTT
SCHEMBL5107750 0.65 HTR2C (0.70) HTR2CHRH1MEN1STAT3HTT
SCHEMBL1033054 0.64 ALDH1A1 (0.48) HTR2CHRH1MEN1STAT3HTT
SCHEMBL1749169 0.64 MAPT (0.38) MEN1HTTMAPTNPC1GAA
SCHEMBL17516462 0.62 HTR2C (0.65) HTR2CHRH1MEN1STAT3HTT
SCHEMBL29520086 0.62 MAPT (0.80) HTR2CHRH1MEN1STAT3HTT
SCHEMBL13640916 0.61 HTR2C (0.72) HTR2CHRH1MEN1STAT3HTT
SCHEMBL12789897 0.61 MEN1 (0.64) HTR2CHRH1MEN1STAT3HTT
SCHEMBL4245389 0.60 HTR2C (0.65) HTR2CHRH1MEN1STAT3HTT

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 4 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
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP disclosed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO 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 HTR2C 10/4885HRH1 174/4885MEN1 4776/4885

“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.