SCHEMBL3044591

SCHEMBL3044591

NCC[C@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
EPHX1 P07099 1/20 0.53
CPA3 P15088 3/20 0.51
CPA1 P15085 4/20 0.50
FOLH1 Q04609 3/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
CPB1 P15086 1/20 0.50
CPB2 Q96IY4 1/20 0.50
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
ANPEP P15144 1/20 0.45
ERAP2 Q6P179 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL2589028 0.87 CYP1A2 (0.70) CYP1A2CPA3CPA1FOLH1SLC1A3
SCHEMBL13771465 0.86 CPB2 (0.56) CYP1A2EPHX1CPA3CPA1FOLH1
SCHEMBL5052372 0.86 CYP1A2 (0.68) CYP1A2EPHX1CPA3CPA1FOLH1
SCHEMBL7908771 0.85 CYP1A2 (0.57) CYP1A2EPHX1CPA3CPA1FOLH1
SCHEMBL7907545 0.85 CYP1A2 (0.57) CYP1A2EPHX1CPA3CPA1FOLH1
SCHEMBL27417767 0.85 CYP1A2 (0.57) CYP1A2EPHX1CPA3CPA1FOLH1
SCHEMBL4020655 0.85 CYP1A2 (0.57) CYP1A2EPHX1CPA3CPA1FOLH1
SCHEMBL19532713 0.85 CYP1A2 (0.61) CYP1A2EPHX1CPA3CPA1FOLH1
SCHEMBL6609906 0.85 CYP1A2 (0.61) CYP1A2EPHX1CPA3CPA1FOLH1
SCHEMBL7353741 0.85 CYP1A2 (0.61) CYP1A2EPHX1CPA3CPA1FOLH1

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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 CYP1A2 31/4885EPHX1 1788/4885CPA3 1873/4885

“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.