SCHEMBL3608747

SCHEMBL3608747

COC(=O)c1ccc(-c2ccc(N3CCC(Oc4cc(F)ccc4Br)CC3)nc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.67
SCD5 Q86SK9 1/20 0.59
HRH3 Q9Y5N1 2/20 0.50
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 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
SCHEMBL3607922 0.90 SCD (0.81) SCDSCD5HRH3
SCHEMBL3608752 0.87 SCD (0.57) SCDSCD5
SCHEMBL31757165 0.83 SCD (0.55) SCDHRH3NPC1RAB9AKMT2A
SCHEMBL4498412 0.81 SCD (0.61) SCDSCD5
SCHEMBL31162618 0.80 SCD (0.52) SCDHRH3NPC1RAB9AKMT2A
SCHEMBL3601426 0.80 RAB9A (0.57) HRH3NPC1RAB9AKMT2A
SCHEMBL3611004 0.78 SCD (1.00) SCDSCD5
SCHEMBL3602572 0.78 SCD (0.78) SCDSCD5HRH3
SCHEMBL3607926 0.77 SCD (0.69) SCDSCD5
SCHEMBL3607557 0.77 HRH3 (0.54) HRH3NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 SCD 1/4885SCD5 2/4885HRH3 4665/4885

“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.