SCHEMBL22714101

SCHEMBL22714101

NCC(Cc1cccc(O)c1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.55
ANPEP P15144 2/20 0.52
ERAP2 Q6P179 2/20 0.52
ERAP1 Q9NZ08 1/20 0.52
ENPP2 Q13822 1/20 0.52
CYP1A2 P05177 1/20 0.52
FOLH1 Q04609 6/20 0.49
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
CPA1 P15085 2/20 0.46
CPA3 P15088 2/20 0.46
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46

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
SCHEMBL4989957 0.85 GRIA2 (0.48) GRIA2ANPEPERAP2ERAP1ENPP2
SCHEMBL1634405 0.83 CYP1A2 (0.56) GRIA2ANPEPERAP2ERAP1CYP1A2
SCHEMBL5679935 0.83 CYP1A2 (0.56) GRIA2ANPEPERAP2ERAP1CYP1A2
SCHEMBL4992735 0.83 GRIA2 (0.46) GRIA2ANPEPERAP2ERAP1ENPP2
SCHEMBL5171909 0.82 CYP1A2 (0.76) ANPEPERAP2CYP1A2FOLH1SLC1A3
SCHEMBL4738634 0.82 CYP1A2 (0.76) ANPEPERAP2CYP1A2FOLH1SLC1A3
SCHEMBL558159 0.82 CYP1A2 (0.76) ANPEPERAP2CYP1A2FOLH1SLC1A3
SCHEMBL1817242 0.82 PNMT (0.53) CYP1A2FOLH1TAAR1SLC1A3SLC1A2
SCHEMBL1817614 0.82 PNMT (0.53) CYP1A2FOLH1TAAR1SLC1A3SLC1A2
SCHEMBL1814454 0.82 CYP1A2 (0.50) ANPEPERAP2CYP1A2FOLH1TAAR1

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-11725007-B2 Meta tyrosine derivatives as rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2023-08-15 US disclosed
EP-3728246-B1 META TYROSINE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-09-22 EP disclosed
US-20200377500-A1 META TYROSINE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-12-03 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 (2 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-20200377500-A1 META TYROSINE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA GRIA2 3087/4885ANPEP 2244/4885ERAP2 4218/4885
US-11725007-B2 Meta tyrosine derivatives as rho-kinase inhibitors ROCK1, ROCK2, RHOA GRIA2 3087/4885ANPEP 2244/4885ERAP2 4218/4885

“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.