SCHEMBL5607585

SCHEMBL5607585

COC(=O)C12CC3CC(O)(C1)CC(C(=O)OC)(C3)C2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
GLA P06280 1/20 0.37
HSD11B1 P28845 2/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL5608286 0.96 ALDH1A1 (0.40) ALDH1A1TSHRABL1RIN1NPSR1
SCHEMBL5084581 0.90 GLA (0.42) ALDH1A1TSHRNPSR1GLAL3MBTL1
SCHEMBL4033960 0.88 MEN1 (0.43) ALDH1A1TSHRABL1RIN1
SCHEMBL4033957 0.87 ALDH1A1 (0.35) ALDH1A1TSHRABL1RIN1NPSR1
SCHEMBL1073923 0.87 ALDH1A1 (0.35) ALDH1A1TSHRABL1RIN1NPSR1
SCHEMBL4084962 0.86 NPSR1 (0.34) ALDH1A1TSHRABL1RIN1NPSR1
SCHEMBL5608439 0.83 ALDH1A1 (0.56) ALDH1A1TSHRABL1RIN1NPSR1
SCHEMBL5084537 0.82 ALDH1A1 (0.39) ALDH1A1TSHRNPSR1GLAL3MBTL1
SCHEMBL5082232 0.82 ALDH1A1 (0.39) ALDH1A1TSHRNPSR1GLAL3MBTL1
SCHEMBL17586310 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12240857-B2 Adamantane derivatives for the treatment of filovirus infection ARISAN THERAPEUTICS INC. (US) 2025-03-04 US disclosed
US-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2024-07-18 US disclosed
US-11548893-B2 Enantiomerically pure adamantane carboxamides for the treatment of filovirus infection ARISAN THERAPEUTICS INC. (US) 2023-01-10 US disclosed
WO-2021262426-A9 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2022-03-17 WO disclosed
WO-2021262426-A2 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2021-12-30 WO disclosed
US-20210171521-A1 ENANTIOMERICALLY PURE ADAMANTANE CARBOXAMIDES FOR THE TREATMENT OF FILOVIRUS INFECTION ARISAN THERAPEUTICS, INC. (US) 2021-06-10 US disclosed
US-9758609-B2 Monomer, polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-09-12 US disclosed
US-20160179002-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-23 US disclosed
EP-3035121-A2 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2016-06-22 EP disclosed
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
US-6392104-B1 CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
EP-0927711-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM Daicel Chemical Industries, Ltd. (JP) 1999-07-07 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 (5 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-12240857-B2 Adamantane derivatives for the treatment of filovirus infection IFNAR1, MEP1B, MEP1A ALDH1A1 652/4885TSHR 918/4885ABL1 433/4885
US-20160179002-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS ADH1C, ADH1A, ADH5 ALDH1A1 257/4885TSHR 3944/4885ABL1 2236/4885
US-20210171521-A1 ENANTIOMERICALLY PURE ADAMANTANE CARBOXAMIDES FOR THE TREATMENT OF FILOVIRUS INFECTION ADRB3, FPR3, RTN3 ALDH1A1 1694/4885TSHR 708/4885ABL1 1782/4885
US-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION IFNAR1, NR4A3, NR0B2 ALDH1A1 2758/4885TSHR 107/4885ABL1 1307/4885
US-11548893-B2 Enantiomerically pure adamantane carboxamides for the treatment of filovirus infection ADRB3, FPR3, RTN3 ALDH1A1 1694/4885TSHR 708/4885ABL1 1782/4885

“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.