SCHEMBL4096949

SCHEMBL4096949

CC(C#N)(C#N)CSCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
CYP2D6 P10635 3/20 0.42
CYP3A4 P08684 2/20 0.42
PRMT1 Q99873 1/20 0.42
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
IDO1 P14902 1/20 0.39
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C9 P11712 2/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.36
SLC6A2 P23975 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL1691930 0.78 CYP2D6 (0.48) CYP1A2CYP2D6CYP3A4PRMT1IDO1
SCHEMBL8233970 0.76 CYP2C19 (0.41) CYP1A2CYP2D6CYP3A4PRMT1IDO1
SCHEMBL31489064 0.75 CYP1A2 (0.46) CYP1A2CYP2D6CYP3A4PRMT1IDO1
SCHEMBL28558348 0.74 SLC6A2 (0.52) CYP1A2CYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL25006979 0.73 CYP2D6 (0.44) CYP1A2CYP2D6CYP3A4PRMT1IDO1
SCHEMBL4092393 0.73 CYP1A2 (0.53) CYP1A2CYP2D6CYP3A4PRMT1MAOA
Hydrochloric Acid SCHEMBL8910510 0.73 SLC6A2 (0.52) CYP1A2CYP2D6CYP3A4PRMT1IDO1
Propionitrile SCHEMBL27536393 0.72 MAOA (0.44) CYP1A2CYP2D6CYP3A4MAOAMAOB
Water SCHEMBL28337531 0.72 CYP2C19 (0.54) CYP1A2CYP2D6CYP3A4MAOAMAOB
Water SCHEMBL27972561 0.72 CYP2C19 (0.54) CYP1A2CYP2D6CYP3A4MAOAMAOB

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-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-2064202-A2 A NEW CRYSTALLINE FORM G OF (5S)-5-[4-(5-CHLORO-PYRIDIN-2-YLOXY)-PIPERIDINE-1-SULFONYL-METHYL]-5-METHYL-IMIDAZOLIDINE-2,4-DIONE (I) AND INTERMEDIATES THEREOF. AstraZeneca AB (SE) 2009-06-03 EP disclosed
WO-2007106022-A2 A NEW CRYSTALLINE FORM G OF (5S) -5- [4- (5-CHLORO-PYRIDIN-2- YLOXY) -PIPERIDINE-1-SULFONYLMETHYL] - 5 -METHYL -IMIDAZOLIDINE - 2,4-DIONE (I) AND INTERMEDIATES THEREOF. ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
WO-2007106022-A2 A NEW CRYSTALLINE FORM G OF (5S) -5- [4- (5-CHLORO-PYRIDIN-2- YLOXY) -PIPERIDINE-1-SULFONYLMETHYL] - 5 -METHYL -IMIDAZOLIDINE - 2,4-DIONE (I) AND INTERMEDIATES THEREOF. ASTRAZENECA AB (SE) 2007-09-20 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 (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-20090221640-A1 Novel Crystal Modifications PTMS, NT5C, CDK5 CYP1A2 682/4885CYP2D6 654/4885CYP3A4 403/4885

“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.