SCHEMBL2945534

SCHEMBL2945534

Nc1nnc(N2CCC(Oc3cc(F)ccc3Br)C2)s1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.58
GLS O94925 2/20 0.46
SCD5 Q86SK9 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL2945529 1.00 SCD (0.58) SCDGLSSCD5KDM4ENPC1
SCHEMBL2951628 0.81 SCD (0.89) SCDSCD5
SCHEMBL2940781 0.79 SCD (0.60) SCDSCD5
SCHEMBL27765327 0.78 SCD (0.60) SCDSCD5
SCHEMBL473031 0.78 SCD (0.62) SCDSCD5
SCHEMBL473035 0.78 SCD (0.59) SCDSCD5
SCHEMBL473034 0.78 SCD (0.59) SCDSCD5
SCHEMBL2946619 0.77 SCD (0.57) SCDSCD5
SCHEMBL473036 0.76 SCD (0.62) SCDSCD5
SCHEMBL17654151 0.76 GLS (0.57) GLSKDM4ENPC1ALDH1A1HPGD

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-7754745-B2 Azacyclopentane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2010-07-13 US disclosed
US-20090093527-A1 Azacyclopentane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-09 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-20090093527-A1 Azacyclopentane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase SCD, SCD5, SREBF1 SCD 1/4885GLS 904/4885SCD5 2/4885

“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.