SCHEMBL4990504

SCHEMBL4990504

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APOB P04114 3/20 0.44
▸ MTTP P55157 3/20 0.44
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ABCB1 P08183 6/20 0.42
▸ ABCG2 Q9UNQ0 6/20 0.42
▸ SIGMAR1 Q99720 3/20 0.41
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ NPY2R P49146 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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 0.87 APOB (0.60) APOBMTTPKDM4EMAPT
SCHEMBL4990498 0.86 APOB (0.48) APOBMTTPPOLBHSD17B10ABCB1
SCHEMBL4990493 0.85 APOB (0.51) APOBMTTPPOLBHSD17B10ABCB1
SCHEMBL691418 0.79 MTTP (0.59) APOBMTTPKDM4EMAPT
Hydrochloric Acid SCHEMBL8408661 0.78 MTTP (0.59) APOBMTTPKDM4EMAPT
Hydrochloric Acid SCHEMBL3887925 0.78 MTTP (0.59) APOBMTTPKDM4EMAPT
SCHEMBL8213429 0.78 APOB (0.55) APOBMTTPKDM4EMAPT
Hydrochloric Acid SCHEMBL8410108 0.78 MTTP (0.58) APOBMTTPKDM4EMAPT
SCHEMBL8208061 0.78 MTTP (0.53) APOBMTTPMEN1TP53ALOX15
SCHEMBL8200807 0.78 MTTP (0.53) APOBMTTPKDM4EMAPT

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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