SCHEMBL1748432

SCHEMBL1748432

CCOC(=O)c1c(-c2ccc(C)cc2)c(C)cn1Cc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.46
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
CYP19A1 P11511 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
RAB9A P51151 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
MEN1 O00255 2/20 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
SCHEMBL15497048 0.85 F2RL3 (0.53) F2RL3ALDH1A1LMNACYP19A1CRHBP
SCHEMBL1030435 0.85 S1PR1 (0.43) LMNAMAPTHPGDTP53
SCHEMBL15497072 0.84 F2RL3 (0.52) F2RL3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL15497057 0.81 KDM4E (0.51) F2RL3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1030537 0.81 KMT2A (0.38) F2RL3ALDH1A1NPC1LMNAMAPT
SCHEMBL2638193 0.80 NPC1 (0.46) ALDH1A1NPC1LMNARAB9AMEN1
SCHEMBL2637504 0.80 HPGD (0.47) ALDH1A1NPC1LMNAMAPTSMN1; SMN2
SCHEMBL2637874 0.79 PKM (0.47) MAPTMEN1KMT2ATP53
SCHEMBL2637904 0.79 CNR1 (0.44) MAPTMEN1KMT2ATP53
SCHEMBL3988267 0.79 NPC1 (0.45) ALDH1A1NPC1LMNAMAPTSMN1; SMN2

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 F2RL3 1543/4885ALDH1A1 2168/4885NPC1 3094/4885

“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.