SCHEMBL17848607

SCHEMBL17848607

CC(C)(C)OC(=O)N1CCCC(C)(Oc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL17848342 0.93 ALDH1A1 (0.57) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL31316605 0.90 ALDH1A1 (0.60) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL22439450 0.87 ALDH1A1 (0.51) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL22370558 0.87 ALDH1A1 (0.51) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL17848404 0.86 ALDH1A1 (0.62) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL17848728 0.85 NR1H2 (0.44) ALDH1A1MAPTKMT2AMEN1MMP2
SCHEMBL30929528 0.81 ALDH1A1 (0.42) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL31441479 0.81 ALDH1A1 (0.53) ALDH1A1LMNAMAPTKMT2ACYP1A2
SCHEMBL31441492 0.81 ALDH1A1 (0.53) ALDH1A1LMNAMAPTKMT2ACYP1A2
SCHEMBL28925340 0.78 MAPT (0.68) ALDH1A1LMNAMAPTCYP1A2CYP2D6

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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