SCHEMBL25965618

SCHEMBL25965618

Brc1ccc(N2CC3(CCOCC3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.44
▸ LRRK2 Q5S007 5/20 0.43
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ USP2 O75604 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RORC P51449 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ CYP2C19 P33261 2/20 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
SCHEMBL31237127 0.84 TSHR (0.44) AKR1C3TSHRHSD17B10ALDH1A1CYP1A2
SCHEMBL17289883 0.82 HDAC4 (0.47) AKR1C3LRRK2TSHRHSD17B10ALDH1A1
SCHEMBL14320425 0.81 LRRK2 (0.43) LRRK2TSHRHSD17B10ALDH1A1CYP1A2
SCHEMBL15400504 0.81 AKR1C3 (0.44) AKR1C3LRRK2TSHRHSD17B10ALDH1A1
SCHEMBL17665073 0.81 LRRK2 (0.49) AKR1C3LRRK2TSHRHSD17B10ALDH1A1
SCHEMBL30732918 0.77 AKR1C3 (0.36) AKR1C3TSHRHSD17B10ALDH1A1CYP1A2
SCHEMBL17660604 0.77 ALDH1A1 (0.44) LRRK2TSHRHSD17B10ALDH1A1CYP1A2
SCHEMBL21588465 0.76 AKR1C3 (0.51) AKR1C3TSHRHSD17B10ALDH1A1CYP1A2
SCHEMBL25551401 0.75 MAPT (0.49) LRRK2TSHRHSD17B10ALDH1A1CYP1A2
SCHEMBL24319762 0.74 TSHR (0.43) AKR1C3TSHRHSD17B10ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 — — EP disclosed
WO-2024201308-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR 주식회사 엘지화학 2024-10-03 — — WO disclosed
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 — — US disclosed
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 — — US disclosed
EP-4223754-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-09 — — 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 (1 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-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR AKT2, MTOR, AKT1 AKR1C3 2752/4885LRRK2 278/4885TSHR 4204/4885

“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.

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