SCHEMBL6345537

SCHEMBL6345537

CC(CC#N)(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
PPARA Q07869 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL6017448 0.85 KMT2A (0.40) MIFKMT2AMEN1CYP1A2CYP2C19
SCHEMBL17080108 0.84 CYP2C19 (0.44) KMT2AMEN1CYP1A2CYP2C19CYP2D6
SCHEMBL20556837 0.79 MIF (0.48) MIFKMT2AMEN1PPARACYP1A2
SCHEMBL1626113 0.79 MIF (0.48) MIFKMT2AMEN1PPARACYP1A2
SCHEMBL7097465 0.79 MIF (0.48) MIFKMT2AMEN1PPARACYP1A2
Hydrochloric Acid SCHEMBL8663111 0.77 MIF (0.47) MIFKMT2AMEN1PPARACYP1A2
Hydrochloric Acid SCHEMBL7990558 0.76 MIF (0.46) MIFKMT2AMEN1PPARACYP1A2
SCHEMBL18704255 0.75 KMT2A (0.52) MIFKMT2AMEN1SMN1; SMN2POLB
SCHEMBL27561961 0.74 KMT2A (0.45) MIFKMT2AMEN1PPARACYP1A2
SCHEMBL157467 0.73 MIF (0.43) MIFKMT2AMEN1PPARACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849649-B2 N-phenpropylcyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER INC. (US) 2005-02-01 US disclosed
US-20040106611-A1 N-phenpropylcyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER INC 2004-06-03 US disclosed
EP-1373192-A1 N-PHENPROPYLCYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS NEP INHIBITORS FOR FSAD Pfizer Limited (GB) 2004-01-02 EP disclosed
US-6660756-B2 N-phenpropylcyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER INC. 2003-12-09 US disclosed
US-20030105132-A1 N-phenpropylcuclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER INC. 2003-06-05 US disclosed
WO-2002079143-A1 N-PHENPROPYLCYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS NEP INHIBITORS FOR FSAD PFIZER LIMITED (GB) 2002-10-10 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 (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-20030105132-A1 N-phenpropylcuclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PREP, ENGASE, ENPEP MIF 3922/4885KMT2A 2144/4885MEN1 3875/4885
US-20040106611-A1 N-phenpropylcyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PREP, ENGASE, ENPEP MIF 3801/4885KMT2A 2292/4885MEN1 3854/4885

“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.