SCHEMBL17848569

SCHEMBL17848569

CC(C)(C)OC(=O)N1C2CCC1CC(C)(Oc1ccc([N+](=O)[O-])cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ GPR119 Q8TDV5 8/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PREP P48147 1/20 0.38

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
SCHEMBL17848690 0.88 ALDH1A1 (0.49) ALDH1A1LMNAMAPTCYP1A2CYP2D6
SCHEMBL29944035 0.85 CHRM2 (0.45) ALDH1A1MAPTCHRM2CHRM1CHRM3
SCHEMBL20224832 0.85 CHRM2 (0.45) ALDH1A1MAPTCHRM2CHRM1CHRM3
SCHEMBL29943909 0.84 CHRM2 (0.47) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL20224833 0.84 CHRM2 (0.47) CHRM2CHRM1CHRM3GPR119HSD11B1
SCHEMBL31316605 0.81 ALDH1A1 (0.60) ALDH1A1LMNAMAPTCYP1A2CYP2D6
SCHEMBL4172068 0.81 GPR119 (0.53) ALDH1A1LMNAMAPTCHRM2CHRM1
SCHEMBL4172065 0.81 GPR119 (0.53) ALDH1A1LMNAMAPTCHRM2CHRM1
SCHEMBL4167160 0.81 GPR119 (0.53) ALDH1A1LMNAMAPTCHRM2CHRM1
SCHEMBL22471537 0.78 MAPT (0.62) ALDH1A1LMNAMAPTCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233077-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2026-05-06 — — EP disclosed
US-12428373-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2025-09-30 — — US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 — — US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 — — US disclosed
US-11498896-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2022-11-15 — — US disclosed
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2021-05-20 — — US disclosed
US-10633336-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-04-28 — — US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 — — US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 — — US disclosed
EP-3233077-A1 DOPAMINE D2 RECEPTOR LIGANDS The Broad Institute Inc. (US) 2017-10-25 — — EP disclosed
WO-2016100940-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 — — 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 (6 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-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, DRD3, ARRB1 ALDH1A1 1823/4885LMNA 4642/4885MAPT 3320/4885
US-11498896-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 ALDH1A1 1919/4885LMNA 4865/4885MAPT 1596/4885
US-10633336-B2 Dopamine D2 receptor ligands DRD2, ARRB1, DRD3 ALDH1A1 2551/4885LMNA 4825/4885MAPT 2493/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 ALDH1A1 1919/4885LMNA 4865/4885MAPT 1596/4885
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 ALDH1A1 1919/4885LMNA 4865/4885MAPT 1596/4885
US-12428373-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 ALDH1A1 1919/4885LMNA 4865/4885MAPT 1596/4885

“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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