SCHEMBL3825825

SCHEMBL3825825

C#Cc1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
SCD O00767 4/20 0.61

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
SCHEMBL3079969 0.90 CYP3A4 (0.64) CYP3A4CYP2D6SCD
SCHEMBL14130994 0.86 CYP3A4 (0.48) CYP3A4CYP2D6
SCHEMBL4258724 0.84 CYP3A4 (0.78) CYP3A4CYP2D6SCD
SCHEMBL3092360 0.84 CYP3A4 (0.68) CYP3A4CYP2D6SCD
SCHEMBL3080676 0.84 CYP3A4 (0.68) CYP3A4CYP2D6SCD
SCHEMBL3828435 0.83 CYP3A4 (0.56) CYP3A4CYP2D6SCD
SCHEMBL3089821 0.83 CYP3A4 (0.67) CYP3A4CYP2D6SCD
SCHEMBL4265024 0.83 CYP3A4 (0.70) CYP3A4CYP2D6SCD
SCHEMBL3828542 0.82 SCD (0.56) CYP3A4CYP2D6SCD
SCHEMBL4257521 0.82 SCD (0.81) CYP3A4CYP2D6SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 EP disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 WO disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA CYP3A4 1882/4885CYP2D6 2182/4885SCD 1/4885

“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.