SCHEMBL5766448

SCHEMBL5766448

C1CCC(NC2CCCCC2)CC1.O=C(O)[C@H](Br)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.51
TDP1 Q9NUW8 1/20 0.50
ANPEP P15144 2/20 0.49
ERAP2 Q6P179 2/20 0.49
EPHX1 P07099 3/20 0.48
HPGD P15428 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 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
Cyclohexylamine SCHEMBL6437917 0.84 ALPI (0.45) EPHX2TDP1ANPEPERAP2EPHX1
Cyclohexylamine SCHEMBL5767389 0.84 ALPI (0.45) EPHX2TDP1ANPEPERAP2EPHX1
Dl-Phenylalanine SCHEMBL9318540 0.82 SLC7A5 (0.65) EPHX2TDP1ANPEPERAP2EPHX1
Phenylalanine SCHEMBL9318542 0.82 SLC7A5 (0.65) EPHX2TDP1ANPEPERAP2EPHX1
SCHEMBL27571366 0.81 NPC1 (0.50) EPHX2TDP1ANPEPERAP2NPC1
SCHEMBL4826192 0.80 CYP1A2 (0.61) CPA1
SCHEMBL4316458 0.80 CYP1A2 (0.61) CPA1
SCHEMBL490844 0.80 CYP1A2 (0.61) CPA1
SCHEMBL6437914 0.79 EPHX2 (0.48) EPHX2TDP1ANPEPERAP2EPHX1
Bromide SCHEMBL1596942 0.79 CYP1A2 (0.59) CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487836-B1 ETHANE-1,2-DIAMINO-BIS (2R)-2-BROMO-3-PHENYLPROPANOATE|, METHOD FOR PRODUCTION AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2006-09-06 EP disclosed
US-20050245764-A1 Process for producing optically active 2-substituted carboxylic acid KANEKA CORPORATION (JP) 2005-11-03 US disclosed
EP-1487836-A1 ETHANE-1,2-DIAMINO-BIS (2R)-2-BROMO-3-PHENYLPROPANOATE], METHOD FOR PRODUCTION AND USE THEREOF Aventis Pharma Deutschland GmbH (DE) 2004-12-22 EP disclosed
EP-1422215-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-SUBSTITUTED CARBOXYLIC ACID KANEKA CORPORATION (JP) 2004-05-26 EP disclosed
WO-2003078434-A1 ETHANE-1,2-DIAMINO-BIS[(2R)-2-BROMO-3-PHENYLPROPANOATE], METHOD FOR PRODUCTION AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-25 WO 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-20050245764-A1 Process for producing optically active 2-substituted carboxylic acid CA2, UACA, ATIC EPHX2 485/4885TDP1 4766/4885ANPEP 1946/4885

“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.