SCHEMBL17174341

SCHEMBL17174341

CC(C)(C)Oc1ccc(-c2nccc3occc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 13/20 0.46
▸ CNR2 P34972 1/20 0.44
▸ RIPK1 Q13546 1/20 0.37
▸ TRPA1 O75762 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PDK1 Q15118 2/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ HTR2C P28335 1/20 0.33

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
SCHEMBL17178214 0.83 PDE3B (0.50) DRD1CNR2PDE3BPDE3A
SCHEMBL19390802 0.80 CNR2 (0.47) DRD1CNR2TRPA1PDE3BPDE3A
SCHEMBL18903798 0.80 CNR2 (0.47) DRD1CNR2TRPA1
SCHEMBL18904007 0.78 CNR2 (0.50) DRD1CNR2TRPA1PDK1PDK2
SCHEMBL19371614 0.78 DRD1 (0.64) DRD1CNR2TRPA1
SCHEMBL7814847 0.74 TRPA1 (0.50) DRD1TRPA1
SCHEMBL18905583 0.74 CNR2 (0.50) DRD1CNR2TRPA1PDE3BPDE3A
SCHEMBL21626534 0.74 CNR2 (0.50) DRD1CNR2PDE3BPDE3APDK1
SCHEMBL17195074 0.74 CNR2 (0.49) CNR2PDE3BPDE3APDK1HTR2C
SCHEMBL22342520 0.71 CNR2 (0.47) DRD1CNR2PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 — — US disclosed
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 — — US disclosed
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 — — US disclosed
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 — — US disclosed
US-9617275-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-04-11 — — US disclosed
US-9617275-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-04-11 — — US disclosed
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER (US) 2015-10-15 — — US 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 (3 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-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands COMT, DRD2, NR3C1 DRD1 5/4885CNR2 418/4885RIPK1 2011/4885
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 DRD1 10/4885CNR2 232/4885RIPK1 1229/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 DRD1 10/4885CNR2 183/4885RIPK1 1030/4885

“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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