SCHEMBL17174305

SCHEMBL17174305

COc1ncnc(C)c1-c1ccc(OC(C)(C)C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 12/20 0.45
▸ CHRNA7 P36544 1/20 0.35
▸ USP7 Q93009 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ AMY1A P0DUB6 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ TRPA1 O75762 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
SCHEMBL15705510 0.89 DRD1 (0.50) DRD1ALOX5APFEN1
SCHEMBL17178209 0.88 DRD1 (0.49) DRD1CHRNA7USP7AMY1ATRPA1
SCHEMBL17174398 0.88 DRD1 (0.45) DRD1CHRNA7USP7ALOX5APFEN1
SCHEMBL17174412 0.87 DRD1 (0.48) DRD1
SCHEMBL15705493 0.80 DRD1 (0.57) DRD1USP7ALOX5APFEN1
SCHEMBL15666746 0.79 DRD1 (0.53) DRD1CHRNA7USP7AMY1AKIT
SCHEMBL19390573 0.79 ESR1 (0.42) DRD1USP7KDRKIT
SCHEMBL17178328 0.78 DRD1 (0.47) DRD1CHRNA7USP7AMY1ATRPA1
SCHEMBL15705511 0.77 DRD1 (0.50) DRD1
SCHEMBL15705499 0.76 DRD1 (0.60) DRD1KIT

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 5/4885CHRNA7 318/4885USP7 4745/4885
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 DRD1 10/4885CHRNA7 77/4885USP7 3069/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 DRD1 10/4885CHRNA7 152/4885USP7 4527/4885

“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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