SCHEMBL14108623

SCHEMBL14108623

CCCCCCCCCCCCCCNC(=O)N[C@H](CC(=O)OCCCC(=O)OC)C[N+](C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPT2 P23786 3/20 0.62
▸ CPT1A P50416 3/20 0.62
▸ CPT1B Q92523 3/20 0.62
▸ EPHX2 P34913 4/20 0.44
▸ EPHX1 P07099 1/20 0.43
▸ MAPK1 P28482 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GMNN O75496 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL14108616 0.88 CPT2 (0.74) CPT2CPT1ACPT1BEPHX1
SCHEMBL12304894 0.83 CPT2 (0.66) CPT2CPT1ACPT1BEPHX2EPHX1
SCHEMBL12304897 0.81 CPT2 (0.60) CPT2CPT1ACPT1BEPHX2EPHX1
Teglicar SCHEMBL13568151 0.78 CPT2 (0.78) CPT2CPT1ACPT1BEPHX1
SCHEMBL12304895 0.78 CPT2 (0.78) CPT2CPT1ACPT1BEPHX1
SCHEMBL12304907 0.78 CPT2 (0.78) CPT2CPT1ACPT1BEPHX1
Teglicar SCHEMBL3685373 0.77 CPT2 (1.00) CPT2CPT1ACPT1B
Teglicar SCHEMBL3687135 0.77 CPT2 (1.00) CPT2CPT1ACPT1B
Teglicar SCHEMBL4450575 0.77 CPT2 (1.00) CPT2CPT1ACPT1B
SCHEMBL2912378 0.77 CPT2 (1.00) CPT2CPT1ACPT1B

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-20080161395-A1 Derivatives of Aminobutanoic Acid Inhibiting Cpt SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-07-03 — — 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-20080161395-A1 Derivatives of Aminobutanoic Acid Inhibiting Cpt CPT1B, CPT1A, CPT2 CPT2 3/4885CPT1A 2/4885CPT1B 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.

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