SCHEMBL4230937

SCHEMBL4230937

COC(=O)[C@H]1CCCN1CCCBr

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.48
▸ NR1I2 O75469 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ FKBP1A P62942 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PEPD P12955 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4220647 1.00 LTA4H (0.48) LTA4HNR1I2POLBFKBP1AALDH1A1
SCHEMBL7833954 1.00 LTA4H (0.48) LTA4HNR1I2POLBFKBP1AALDH1A1
SCHEMBL15434618 0.86 NR1I2 (0.54) LTA4HNR1I2POLBFKBP1ACYP3A4
SCHEMBL14115082 0.86 NR1I2 (0.54) LTA4HNR1I2POLBFKBP1ACYP3A4
SCHEMBL29020295 0.84 NR1I2 (0.50) LTA4HNR1I2POLBFKBP1ACYP3A4
SCHEMBL4231027 0.84 LTA4H (0.51) LTA4HNR1I2POLBFKBP1AALDH1A1
SCHEMBL4224079 0.84 LTA4H (0.51) LTA4HNR1I2POLBFKBP1AALDH1A1
SCHEMBL9921435 0.84 LTA4H (0.51) LTA4HNR1I2POLBFKBP1AALDH1A1
SCHEMBL30483513 0.84 LTA4H (0.51) LTA4HNR1I2POLBFKBP1AALDH1A1
Hydrochloric Acid SCHEMBL7432819 0.83 LTA4H (0.47) LTA4HNR1I2POLBFKBP1AALDH1A1

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
US-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-13 — — US disclosed
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-23 — — US disclosed
EP-1163227-B1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 — — EP disclosed
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-28 — — 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 (3 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-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM REN, APC, PKD1 LTA4H 1225/4885NR1I2 111/4885POLB 1293/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 LTA4H 1225/4885NR1I2 111/4885POLB 1293/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 LTA4H 1684/4885NR1I2 59/4885POLB 1090/4885

“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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