SCHEMBL3493064

SCHEMBL3493064

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C(COS(C)(=O)=O)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
STS P08842 1/20 0.47
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA4 P22748 4/20 0.45
CA9 Q16790 4/20 0.45
GPR119 Q8TDV5 4/20 0.45
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
ALDH1A1 P00352 1/20 0.41
BRD4 O60885 1/20 0.41
BCHE P06276 1/20 0.41
HTR6 P50406 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41

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
SCHEMBL25130625 0.88 GPR119 (0.47) JAK2JAK1STSCA1CA2
SCHEMBL2077094 0.88 GPR119 (0.47) JAK2JAK1STSCA1CA2
SCHEMBL4976543 0.87 CA1 (0.50) CA1CA2CA4CA9ALDH1A1
SCHEMBL24338276 0.86 PARP1 (0.44) JAK2JAK1STSGPR119NR1H2
SCHEMBL2063154 0.85 SIGMAR1 (0.52) JAK2JAK1STSCA1CA2
SCHEMBL21005361 0.85 SIGMAR1 (0.52) JAK2JAK1STSCA1CA2
SCHEMBL2063153 0.85 SIGMAR1 (0.52) JAK2JAK1STSCA1CA2
SCHEMBL25021630 0.85 GPR119 (0.51) JAK2JAK1STSCA1CA2
SCHEMBL26891185 0.85 GPR119 (0.51) JAK2JAK1STSCA1CA2
SCHEMBL29247571 0.84 GPR119 (0.47) JAK2JAK1STSCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136606-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2025-05-01 US disclosed
EP-4408850-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2024-08-07 EP disclosed
CN-118317963-A TRPML modulators, compositions thereof, and methods of use 卡拉韦治疗公司 2024-07-09 CN disclosed
WO-2023055920-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2023-04-06 WO disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 JAK2 922/4885JAK1 1604/4885STS 369/4885
US-20250136606-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE MCOLN1, TRPM2, PKD2 JAK2 4480/4885JAK1 4216/4885STS 3754/4885

“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.