SCHEMBL13889276

SCHEMBL13889276

O=C(OCc1ccccc1)[C@H]1C[C@H]2CCCC[C@H]2N1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ FKBP1A P62942 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ BACE1 P56817 1/20 0.41
▸ FABP7 O15540 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 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
SCHEMBL14605637 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL5461273 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL6871388 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL2178522 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL9169159 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL13314011 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL14605828 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL9733234 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL14117906 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7
SCHEMBL14117911 1.00 TSHR (0.56) TSHRFKBP1AALDH1A1BACE1FABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521566-B2 Process for preparation of perindopril and salts thereof LES LABORATOIRES SERVIER (FR) 2009-04-21 — — US disclosed
US-7456296-B2 Method for preparation of crystalline perindopril erbumine LUPIN LTD (IN) 2008-11-25 — — US disclosed
US-20070149604-A1 Reacting perindopril in a solvent selected from N,N-dimethylformamide, dimethoxymethane, 2,2-dimethoxypropane and 1,2-dimethoxyethane with tert-butylamine, crystallization; stereospecific LUPIN LTD. (IN) 2007-06-28 — — 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-20070149604-A1 Reacting perindopril in a solvent selected from N,N-dimethylformamide, dimethoxymethane, 2,2-dimethoxypropane and 1,2-dimethoxyethane with tert-butylamine, crystallization; stereospecific REN, AGTR2, AGTR1 TSHR 2109/4885FKBP1A 417/4885ALDH1A1 303/4885

“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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