SCHEMBL4009682

SCHEMBL4009682

COCCNC(=O)NCC1CCC(CNC(=O)c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.49
CHRM1 P11229 1/20 0.47
PTGS2 P35354 1/20 0.45
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
LMNA P02545 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42

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 0.89 P2RX7 (0.56) P2RX7CHRM1KDM4EALDH1A1
SCHEMBL4012709 0.88 P2RX7 (0.51) P2RX7CHRM1HPGDTMEM97SIGMAR1
SCHEMBL4007101 0.83 NPC1 (0.56) P2RX7CHRM1PTGS2LMNATMEM97
SCHEMBL4005704 0.83 P2RX7 (0.52) P2RX7CHRM1
SCHEMBL4005799 0.81 KMT2A (0.49) CHRM1HPGDKDM4EALDH1A1KMT2A
SCHEMBL4007674 0.81 NPC1 (0.56) P2RX7CHRM1HPGDKDM4EALDH1A1
SCHEMBL4005886 0.80 HPGD (0.48) P2RX7CHRM1HPGDLMNAKDM4E
SCHEMBL6355637 0.79 NPC1 (0.60) P2RX7CHRM1ALDH1A1KMT2A
SCHEMBL4388583 0.78 POLB (0.51) P2RX7CHRM1HPGDLMNA
SCHEMBL4007606 0.76 HPGD (0.52) HPGDKMT2A

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 3 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
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 P2RX7 3989/4885CHRM1 1124/4885PTGS2 2104/4885

“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.