SCHEMBL5370163

SCHEMBL5370163

COC(=O)[C@@H]1CN1CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.48
GAA P10253 1/20 0.48
LTA4H P09960 2/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRM2 Q14416 1/20 0.46
OGA O60502 1/20 0.44
MMP2 P08253 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5375688 1.00 FKBP1A (0.48) FKBP1AGAALTA4HALDH1A1SMN1; SMN2
SCHEMBL5558161 1.00 FKBP1A (0.48) FKBP1AGAALTA4HALDH1A1SMN1; SMN2
SCHEMBL2276952 0.86 FKBP1A (0.54) FKBP1ALTA4HALDH1A1KMT2A
SCHEMBL2772367 0.85 LTA4H (0.57) FKBP1ALTA4HALDH1A1SMN1; SMN2
SCHEMBL2772130 0.85 LTA4H (0.57) FKBP1ALTA4HALDH1A1SMN1; SMN2
SCHEMBL11143053 0.85 MAPT (0.51) GAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL5370839 0.85 MAPT (0.51) GAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL5373647 0.85 MAPT (0.51) GAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL2772128 0.85 LTA4H (0.57) FKBP1ALTA4HALDH1A1SMN1; SMN2
SCHEMBL2770248 0.83 LTA4H (0.67) FKBP1ALTA4HALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841423-A2 USE OF 1- BENZYL-1- HYDROXY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3 HYDROXY-2-AMINO PROPIONIC ACID AMIDES AND RELATED COMPOUNDS AS ANALGESICS Allergan, Inc. (US) 2007-10-10 EP disclosed
US-7268228-B2 Optically active aziridine-2-carboxylate derivatives and a process for preparing them IMAGENE CO., LTD. (KR) 2007-09-11 US disclosed
WO-2006081252-A2 USE OF 1-BENZYL-1-HYDR0XY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS AS ANALGESICS ALLERGAN, INC. (US) 2006-08-03 WO disclosed
US-20040030133-A1 Optically active aziridine-2-carboxylate derivatives and a process for preparing them IMAGENE CO. LTD. (KR) 2004-02-12 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-20040030133-A1 Optically active aziridine-2-carboxylate derivatives and a process for preparing them HRH2, HRH1, DDC FKBP1A 4716/4885GAA 1763/4885LTA4H 1222/4885

“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.