SCHEMBL21797362

SCHEMBL21797362

CC1(O)[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.53
S1PR1 P21453 1/20 0.50
S1PR5 Q9H228 1/20 0.50
ACHE P22303 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
GBA1 P04062 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
OPRL1 P41146 1/20 0.45

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
SCHEMBL24767528 1.00 FUCA1 (0.53) FUCA1S1PR1S1PR5ACHEALDH1A1
SCHEMBL2302054 1.00 FUCA1 (0.53) FUCA1S1PR1S1PR5ACHEALDH1A1
SCHEMBL21737899 1.00 FUCA1 (0.53) FUCA1S1PR1S1PR5ACHEALDH1A1
SCHEMBL21797360 1.00 FUCA1 (0.53) FUCA1S1PR1S1PR5ACHEALDH1A1
SCHEMBL23583190 0.94 FUCA1 (0.50) FUCA1S1PR1S1PR5ACHEALDH1A1
SCHEMBL6317785 0.93 FUCA1 (0.56) FUCA1S1PR1S1PR5ACHEALDH1A1
SCHEMBL12078355 0.83 FUCA1 (0.49) FUCA1ACHEALDH1A1MEN1KMT2A
SCHEMBL12078356 0.83 FUCA1 (0.49) FUCA1ACHEALDH1A1MEN1KMT2A
SCHEMBL6318884 0.83 S1PR5 (0.48) FUCA1S1PR1S1PR5MEN1KMT2A
SCHEMBL10008510 0.82 FUCA1 (0.56) FUCA1S1PR1S1PR5ALDH1A1GBA1

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
EP-3980412-B1 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-08-13 EP disclosed
US-12319671-B2 1-pyrazolyl, 5-, 6-disubstituted indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2025-06-03 US disclosed
US-12060351-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2024-08-13 US disclosed
CN-112566915-B Thiadiazole IRAK4 inhibitors 吉利德科学公司 2024-04-09 CN disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-12-22 US disclosed
US-20220259188-A1 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2022-08-18 US disclosed
US-20220098187-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-03-31 US disclosed
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS GILEAD SCIENCES, INC. 2020-03-12 US 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 (7 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-20220098187-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 FUCA1 4428/4885S1PR1 3054/4885S1PR5 3267/4885
US-20220259188-A1 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, PARK7, BRSK2 FUCA1 2817/4885S1PR1 3619/4885S1PR5 3408/4885
US-12060351-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 FUCA1 4428/4885S1PR1 3054/4885S1PR5 3267/4885
US-20200079769-A1 THIADIAZOLE IRAK4 COMPOUNDS IRAK4, IRAK3, IRAK2 FUCA1 4525/4885S1PR1 3207/4885S1PR5 3326/4885
US-12319671-B2 1-pyrazolyl, 5-, 6-disubstituted indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, PARK7, BRSK2 FUCA1 2817/4885S1PR1 3619/4885S1PR5 3408/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 FUCA1 4428/4885S1PR1 3054/4885S1PR5 3267/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 FUCA1 4428/4885S1PR1 3054/4885S1PR5 3267/4885

“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.