SCHEMBL2144199

SCHEMBL2144199

C[C@]1(O)CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
YTHDC1 Q96MU7 1/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
GRIN2B Q13224 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.42
EBP Q15125 1/20 0.41
SLC6A3 Q01959 1/20 0.40
SLC18A3 Q16572 1/20 0.40
LMNA P02545 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
TSHR P16473 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
SCHEMBL383265 1.00 CCR5 (0.47) CCR5NPSR1KDM4EATMTDP1
SCHEMBL383264 1.00 CCR5 (0.47) CCR5NPSR1KDM4EATMTDP1
SCHEMBL17685368 0.93 CCR5 (0.43) CCR5NPSR1KDM4EATMTDP1
SCHEMBL17685375 0.93 CCR5 (0.43) CCR5NPSR1KDM4EATMTDP1
SCHEMBL14657441 0.84 TRPA1 (0.51) CCR5NPSR1KDM4EATMTDP1
SCHEMBL13734746 0.84 TRPA1 (0.51) CCR5NPSR1KDM4EATMTDP1
SCHEMBL14657444 0.84 TRPA1 (0.51) CCR5NPSR1KDM4EATMTDP1
SCHEMBL2022730 0.84 YTHDC1 (0.45) CCR5NPSR1KDM4EATMTDP1
SCHEMBL2022732 0.84 YTHDC1 (0.45) CCR5NPSR1KDM4EATMTDP1
SCHEMBL2022733 0.84 YTHDC1 (0.45) CCR5NPSR1KDM4EATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
EP-4169575-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS Sato Pharmaceutical Co., Ltd. (JP) 2023-04-26 EP disclosed
CN-107108508-B N- (4-hydroxy-4-methyl-cyclohexyl) -4-phenyl-benzenesulfonamide and N- (4-hydroxy-4-methyl-cyclohexyl) -4- (2-pyridyl) -benzenesulfonamide compounds and their therapeutic use 皮姆科2664有限公司 2020-09-01 CN disclosed
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 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 (3 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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 CCR5 2457/4885NPSR1 3369/4885KDM4E 1965/4885
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS HPGDS, PTGS1, PTGIS CCR5 1274/4885NPSR1 1303/4885KDM4E 2711/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 CCR5 2457/4885NPSR1 3369/4885KDM4E 1965/4885

“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.