SCHEMBL4684546

SCHEMBL4684546

C=CCn1cccc1C(=O)Nc1cccc(CC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.53
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
MAPT P10636 3/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CNR1 P21554 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGER3 P43115 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4679445 0.75 PPARG (0.47) CNR2NPC1RAB9AMAPTTP53
SCHEMBL2717815 0.73 ALDH1A1 (0.50) NPC1RAB9AMAPTHDAC1HDAC6
SCHEMBL18808346 0.72 EGFR (0.63) NPC1RAB9AMAPTHPGDMAPK1
SCHEMBL4785028 0.72 NPC1 (0.48) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL9979193 0.72 ALDH1A1 (0.62) NPC1RAB9AMAPTTP53HPGD
SCHEMBL21348486 0.70 SMN1; SMN2 (0.60) NPC1RAB9AMAPTTP53HPGD
SCHEMBL5543814 0.70 MAPT (0.60) NPC1RAB9AMAPTTP53HPGD
SCHEMBL3011416 0.70 NPC1 (0.44) NPC1RAB9AALDH1A1KMT2A
SCHEMBL4319038 0.70 MAPT (0.64) NPC1RAB9AMAPTTP53HPGD
SCHEMBL8996654 0.70 MAPT (0.64) NPC1RAB9AMAPTTP53HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1386913-B1 PYRROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2008-07-16 EP disclosed
EP-1386913-B1 PYRROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2008-07-16 EP disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-20040162331-A1 Pyrrole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-08-19 US disclosed
EP-1386913-A1 PYRROLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP 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-20040162331-A1 Pyrrole derivative SLC5A1, GLP1R, SLC5A2 CNR2 3680/4885NPC1 2030/4885RAB9A 429/4885

“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.