SCHEMBL21512801

SCHEMBL21512801

CCOC(=O)c1cc(Br)cnc1CCl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 6/20 0.46
▸ DPP4 P27487 5/20 0.44
▸ TSHR P16473 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40

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
SCHEMBL15527865 0.88 OPRK1 (0.48) OPRK1DPP4TSHRPOLBNPSR1
SCHEMBL18398582 0.88 OPRK1 (0.48) OPRK1DPP4TSHRPOLBNPSR1
SCHEMBL612617 0.85 DPP4 (0.46) DPP4TSHRMEN1NPC1KMT2A
SCHEMBL9370823 0.84 DPP4 (0.45) DPP4TSHRMEN1NPC1KMT2A
SCHEMBL20703488 0.84 CYP2C9 (0.49) DPP4TSHRHSD17B10MEN1NPC1
SCHEMBL2782609 0.82 OPRK1 (0.48) OPRK1TSHRPOLBNPSR1HSD17B10
SCHEMBL21769766 0.82 OPRK1 (0.44) OPRK1DPP4TSHRPOLBNPSR1
SCHEMBL31390961 0.82 OPRK1 (0.44) OPRK1DPP4TSHRPOLBNPSR1
SCHEMBL31390860 0.82 OPRK1 (0.44) OPRK1DPP4TSHRPOLBNPSR1
SCHEMBL5864153 0.81 OPRK1 (0.50) OPRK1TSHRPOLBNPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIV (US) 2026-05-21 — — US disclosed
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 — — US disclosed
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 — — US disclosed
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 — — US disclosed
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 — — US disclosed
WO-2024086570-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2024-04-25 — — WO disclosed
CN-112469720-B Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy 艾科思莱德制药公司 2024-03-29 — — CN disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP disclosed
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-10-06 — — US disclosed
CN-112469720-A Dual ATM and DNA-PK inhibitors for use in antitumor therapy 艾科思莱德制药公司 2021-03-09 — — CN disclosed
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 — — 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 (4 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-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 OPRK1 3281/4885DPP4 4618/4885TSHR 2841/4885
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 OPRK1 48/4885DPP4 1801/4885TSHR 120/4885
US-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM4, CHRM2 OPRK1 38/4885DPP4 2236/4885TSHR 120/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 OPRK1 3281/4885DPP4 4618/4885TSHR 2841/4885

“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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