SCHEMBL4388583

SCHEMBL4388583

O=C(NCc1cccc(Cl)c1)NCC1CCC(CNC(=O)c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CHRM1 P11229 7/20 0.48
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM3 P20309 1/20 0.47
FBP1 P09467 1/20 0.47
TP53 P04637 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
P2RX7 Q99572 3/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
APEX1 P27695 1/20 0.46
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
CXCR3 P49682 1/20 0.45

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
SCHEMBL4014305 0.87 P2RX7 (0.56) POLBCHRM1P2RX7
SCHEMBL4005886 0.85 HPGD (0.48) CHRM1TP53SMN1; SMN2P2RX7LMNA
SCHEMBL4012661 0.83 CXCR3 (0.62) POLBFBP1TP53MAPTSMN1; SMN2
SCHEMBL4007674 0.83 NPC1 (0.56) POLBCHRM1TP53MAPTP2RX7
SCHEMBL4007101 0.81 NPC1 (0.56) POLBCHRM1TP53MAPTSMN1; SMN2
SCHEMBL4012709 0.80 P2RX7 (0.51) POLBCHRM1P2RX7HPGD
SCHEMBL4005704 0.79 P2RX7 (0.52) CHRM1P2RX7
SCHEMBL4009682 0.78 P2RX7 (0.49) CHRM1P2RX7LMNAHPGD
SCHEMBL6355637 0.77 NPC1 (0.60) POLBCHRM1P2RX7EPHX1EPHX2
SCHEMBL4013383 0.77 CHRM1 (0.47) CHRM1P2RX7EPHX2

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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US claimed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 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 (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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 POLB 1032/4885CHRM1 1124/4885CHRM2 1306/4885

“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.