SCHEMBL4007101

SCHEMBL4007101

O=C(NCCc1ccccc1)NCC1CCC(CNC(=O)c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
TMEM97 Q5BJF2 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CHRM1 P11229 1/20 0.48
P2RX7 Q99572 3/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PTGS2 P35354 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 2/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCN5A Q14524 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
SCHEMBL4014305 0.88 P2RX7 (0.56) NPC1RAB9ACHRM1P2RX7POLB
SCHEMBL4012709 0.85 P2RX7 (0.51) TMEM97SIGMAR1CHRM1P2RX7POLB
SCHEMBL4009682 0.83 P2RX7 (0.49) TMEM97SIGMAR1CHRM1P2RX7KDM4E
SCHEMBL4007674 0.82 NPC1 (0.56) NPC1RAB9ACHRM1P2RX7POLB
SCHEMBL4388583 0.81 POLB (0.51) CHRM1P2RX7POLBEPHX1LMNA
SCHEMBL4005704 0.80 P2RX7 (0.52) CHRM1P2RX7
SCHEMBL4005886 0.79 HPGD (0.48) RAB9ACHRM1P2RX7KDM4EALDH1A1
SCHEMBL6355637 0.78 NPC1 (0.60) NPC1RAB9ACHRM1P2RX7POLB
SCHEMBL2129927 0.76 CHRM1 (0.61) NPC1RAB9ACHRM1P2RX7POLB
SCHEMBL4005974 0.76 NPC1 (0.71) NPC1RAB9AP2RX7KDM4EALDH1A1

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-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
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO 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
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 NPC1 974/4885RAB9A 3450/4885TMEM97 4271/4885

“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.