SCHEMBL4701219

SCHEMBL4701219

CC(C)(C)C(C)(N)C(=O)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
SLC6A2 P23975 4/20 0.49
SLC6A3 Q01959 3/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
ITGA5 P08648 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
SLC6A4 P31645 1/20 0.49
CHRNA3 P32297 1/20 0.49
CYP2C19 P33261 1/20 0.49
HRH1 P35367 1/20 0.49
CHRNA7 P36544 1/20 0.49
OPRK1 P41145 1/20 0.49
CHRNA4 P43681 1/20 0.49
CHRND Q07001 1/20 0.49
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL1228260 0.84 CYP2B6 (0.50) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL5925977 0.82 PARP1 (0.57) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL4741237 0.80 PARP1 (0.55) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL7637167 0.80 PARP1 (0.55) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL28632055 0.79 PARP1 (0.53) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL19250212 0.75 SLC6A2 (0.55) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL29791495 0.74 ACHE (0.58) PARP1SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL111125 0.74 ACHE (0.58) PARP1SLC6A2SLC6A3CHRNA1CHRNG
Ammonia Solution, Strong SCHEMBL27673538 0.74 PARP1 (0.96) PARP1CYP2C19SMN1; SMN2BLMKDM4E
SCHEMBL4701216 0.73 PARP1 (0.47) PARP1SLC6A2SLC6A3CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968603-A2 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS Algebra Inc. (US) 2008-09-17 EP disclosed
WO-2007079470-A2 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS ALGEBRA, INC. (US) 2007-07-12 WO disclosed
US-20070155729-A1 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS ALGEBRA, INC. (US) 2007-07-05 US disclosed
EP-0118036-A1 Biologically active ketone derivative, preparation and use THE WELLCOME FOUNDATION LIMITED (GB) 1984-09-12 EP 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-20070155729-A1 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS AADAT, AADAC, AANAT PARP1 3274/4885SLC6A2 49/4885SLC6A3 21/4885

“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.