SCHEMBL4101648

SCHEMBL4101648

CC(N)(CCc1ccccc1)C(N)=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40

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
SCHEMBL4107144 1.00 TAAR1 (0.44) TAAR1SLC6A2NPC1RAB9AALDH1A1
SCHEMBL9190217 0.81 GRM2 (0.46) TAAR1SLC6A2NPC1RAB9AALDH1A1
SCHEMBL7549612 0.81 NPC1 (0.44) TAAR1SLC6A2NPC1RAB9AALDH1A1
SCHEMBL3367528 0.80 TAAR1 (0.50) TAAR1SLC6A2NPC1RAB9AALDH1A1
SCHEMBL202819 0.79 GRM2 (0.51) TAAR1SLC6A2NPC1RAB9AALDH1A1
SCHEMBL27748006 0.79 GRM2 (0.51) TAAR1SLC6A2NPC1RAB9AALDH1A1
SCHEMBL3616371 0.79 GRM2 (0.51) TAAR1SLC6A2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL1807415 0.78 GRM2 (0.50) TAAR1SLC6A2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL31587976 0.78 GRM2 (0.50) TAAR1SLC6A2NPC1RAB9AALDH1A1
SCHEMBL451516 0.76 TAAR1 (0.60) TAAR1SLC6A2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US claimed
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 claimed
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 claimed

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 TAAR1 4075/4885SLC6A2 4753/4885NPC1 3113/4885

“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.