SCHEMBL3818360

SCHEMBL3818360

O=C(O)[C@@H](CBr)Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.76
CPA1 P15085 7/20 0.68
CPA3 P15088 3/20 0.66
FOLH1 Q04609 3/20 0.66
CPB1 P15086 1/20 0.66
CPB2 Q96IY4 1/20 0.66
SLC1A3 P43003 1/20 0.59
SLC1A2 P43004 1/20 0.59
SLC1A1 P43005 1/20 0.59
MME P08473 1/20 0.56
NAALAD2 Q9Y3Q0 1/20 0.54
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53

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
SCHEMBL4611801 1.00 CYP1A2 (0.76) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL4664822 0.87 CYP1A2 (1.00) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL9622038 0.85 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL27291058 0.85 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL22115491 0.85 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7432418 0.85 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7439697 0.85 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL9875948 0.85 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL1114629 0.84 CYP1A2 (0.70) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6724759 0.83 CYP1A2 (0.83) CYP1A2CPA1CPA3FOLH1CPB1

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
EP-1483255-B1 PROCESS FOR SYNTHESIZING CHIRAL N-ARYL PIPERAZINES WYETH CORP (US) 2009-08-12 EP disclosed
US-7091349-B2 Process for synthesizing N-aryl piperazines with chiral N′-1-[benzoyl(2-pyridyl)amino]-2-propane substitution WYETH (US) 2006-08-15 US disclosed
EP-1483255-A1 PROCESS FOR SYNTHESIZING CHIRAL N-ARYL PIPERAZINES Wyeth, A Corporation of the State of Delaware (US) 2004-12-08 EP disclosed
US-20040230056-A1 Process for synthesizing N-aryl piperazines with chiral N'-1-[benzoyl(2-pyridyl)amino]-2-propane substitution WYETH 2004-11-18 US disclosed
US-6713626-B2 Process for synthesizing N-aryl piperazines with chiral N′-1-[benzoyl(2-pyridyl)amino]-2-propane substitution WYETH 2004-03-30 US disclosed
US-20030187265-A1 Process for synthesizing N-aryl piperazines with chiral N'-1-[benzoyl(2-pyridyl)amino]-2-propane substitution WYETH 2003-10-02 US disclosed
WO-2003078417-A1 PROCESS FOR SYNTHESIZING CHIRAL N-ARYL PIPERAZINES WYETH, A CORPORATION OF THE STATE OF DELAWARE (US) 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 (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-20040230056-A1 Process for synthesizing N-aryl piperazines with chiral N'-1-[benzoyl(2-pyridyl)amino]-2-propane substitution TPH1, HTR1B, HTR1A CYP1A2 143/4885CPA1 1620/4885CPA3 4062/4885
US-20030187265-A1 Process for synthesizing N-aryl piperazines with chiral N'-1-[benzoyl(2-pyridyl)amino]-2-propane substitution TPH1, HTR1B, HTR1A CYP1A2 143/4885CPA1 1620/4885CPA3 4062/4885

“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.