SCHEMBL4990493

SCHEMBL4990493

COC(=O)NCCN1CCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)CF)cc3)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APOB P04114 14/20 0.51
▸ MTTP P55157 13/20 0.51
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ ABCB1 P08183 3/20 0.42
▸ ABCG2 Q9UNQ0 3/20 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
SCHEMBL692958 0.93 APOB (0.60) APOBMTTPGAASMN1; SMN2
SCHEMBL4990498 0.88 APOB (0.48) APOBMTTPPOLBHSD17B10DRD2
SCHEMBL4990504 0.85 APOB (0.44) APOBMTTPPOLBHSD17B10ABCB1
SCHEMBL691418 0.85 MTTP (0.59) APOBMTTPGAASMN1; SMN2
Hydrochloric Acid SCHEMBL8408661 0.84 MTTP (0.59) APOBMTTPGAASMN1; SMN2
Hydrochloric Acid SCHEMBL3887925 0.84 MTTP (0.59) APOBMTTPGAASMN1; SMN2
SCHEMBL8213429 0.84 APOB (0.55) APOBMTTPGAASMN1; SMN2
SCHEMBL8200807 0.83 MTTP (0.53) APOBMTTPGAASMN1; SMN2
Hydrochloric Acid SCHEMBL8410108 0.83 MTTP (0.58) APOBMTTPGAASMN1; SMN2
SCHEMBL8207484 0.83 MTTP (0.53) APOBMTTPGAASMN1; SMN2

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-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 — — US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 — — 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-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 APOB 1/4885MTTP 7/4885POLB 922/4885

“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.

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