SCHEMBL1624876

SCHEMBL1624876

CC(C)(C)OC(=O)[C@](N)(CN)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNN4 O15554 1/20 0.41
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
GRM6 O15303 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MAPK1 P28482 1/20 0.37
KIF11 P52732 1/20 0.36
BCHE P06276 1/20 0.36
CA12 O43570 1/20 0.36

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
Acetic Acid SCHEMBL23121530 0.97 CYP2C19 (0.42) CYP2C19HIF1ATAAR1CYP1A2CYP2D6
SCHEMBL27823794 0.85 CYP2C19 (0.56) CYP2C19HIF1ATAAR1CYP1A2CYP2D6
SCHEMBL8837538 0.85 CYP2C19 (0.43) CYP2C19HIF1ATAAR1CYP1A2CYP2D6
SCHEMBL6464415 0.85 CYP2C19 (0.56) CYP2C19HIF1ATAAR1CYP1A2CYP2D6
SCHEMBL6647551 0.85 CYP2C19 (0.56) CYP2C19HIF1ATAAR1CYP1A2CYP2D6
SCHEMBL7077556 0.84 CYP2C19 (0.42) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL10883865 0.84 CYP2C19 (0.46) CYP2C19HIF1ATAAR1CYP1A2CYP2D6
SCHEMBL6367964 0.84 CYP2C19 (0.46) CYP2C19HIF1ATAAR1CYP1A2CYP2D6
SCHEMBL28356647 0.84 CYP2C19 (0.42) CYP2C19HIF1ATAAR1CYP1A2CYP2D6
SCHEMBL6704312 0.84 CYP2C19 (0.42) CYP2C19HIF1ATAAR1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928137-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2011-04-19 US disclosed
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN W 2007-07-05 US disclosed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 US disclosed
EP-1009758-B1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2005-06-01 EP disclosed
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-6740682-B2 TREATMENT OF THROMBOTIC DISEASES, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY. TULARIK LIMITED (GB) 2004-05-25 US disclosed
US-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-05-09 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-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 CYP2C19 2701/4885HIF1A 4672/4885TAAR1 3815/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN CYP2C19 2141/4885HIF1A 4792/4885TAAR1 4072/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 CYP2C19 2701/4885HIF1A 4672/4885TAAR1 3815/4885

“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.