SCHEMBL17652148

SCHEMBL17652148

CC1CC2(CCC1NCc1ccccc1)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.45
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
KDM1A O60341 2/20 0.40
MAOA P21397 1/20 0.40
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
GRIN2B Q13224 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36

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
SCHEMBL13819197 1.00 FUCA1 (0.45) FUCA1OPRM1OPRL1KDM1AMAOA
SCHEMBL26319083 1.00 FUCA1 (0.45) FUCA1OPRM1OPRL1KDM1AMAOA
SCHEMBL3507722 1.00 FUCA1 (0.45) FUCA1OPRM1OPRL1KDM1AMAOA
SCHEMBL30532010 1.00 FUCA1 (0.45) FUCA1OPRM1OPRL1KDM1AMAOA
SCHEMBL31363766 0.85 KDM1A (0.44) KDM1AMAOA
SCHEMBL1134383 0.81 FUCA1 (0.42) FUCA1OPRM1OPRL1KDM1AMAOA
SCHEMBL1134381 0.81 FUCA1 (0.42) FUCA1OPRM1OPRL1KDM1AMAOA
SCHEMBL1134382 0.81 FUCA1 (0.42) FUCA1OPRM1OPRL1KDM1AMAOA
SCHEMBL803482 0.77 OPRM1 (0.56) OPRM1OPRL1GRIN2B
SCHEMBL9729099 0.77 CCR1 (0.40) SIGMAR1GRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4479137-A1 IRAK4 INHIBITORS Astrazeneca AB (SE) 2024-12-25 EP disclosed
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 US disclosed
CN-118591536-A IRAK4 inhibitors 阿斯利康(瑞典)有限公司 2024-09-03 CN disclosed
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 EP disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 CN disclosed
WO-2023152349-A1 IRAK4 INHIBITORS ASTRAZENECA AB (SE) 2023-08-17 WO disclosed
WO-2023152349-A1 IRAK4 INHIBITORS ASTRAZENECA AB (SE) 2023-08-17 WO disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 WO disclosed
EP-3200789-B1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2019-11-06 EP disclosed
US-9932350-B2 Inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
EP-3200789-A1 INHIBITORS OF IRAK4 ACTIVITY Merck Sharp & Dohme Corp. (US) 2017-08-09 EP disclosed
US-20170217981-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2017-08-03 US disclosed
WO-2016053772-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-04-07 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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 FUCA1 2005/4885OPRM1 2385/4885OPRL1 3460/4885
US-20170217981-A1 INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK1, IRAK2 FUCA1 4164/4885OPRM1 4319/4885OPRL1 2510/4885

“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.