SCHEMBL20392937

SCHEMBL20392937

COc1cc(OC(C)C)ccc1-c1c(C)ccnc1C#N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ USP8 P40818 1/20 0.36
▸ POLQ O75417 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ DRD1 P21728 3/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ G6PC1 P35575 1/20 0.34
▸ DHFR P00374 1/20 0.34

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
SCHEMBL15698831 0.89 EGFR (0.45) EGFRADORA1CYP1A1CYP1B1ALDH1A1
SCHEMBL17174285 0.83 EGFR (0.37) EGFRADORA1CYP1A1CYP1B1ALDH1A1
SCHEMBL19390775 0.80 ESR1 (0.40) ADORA1ALDH1A1POLQADORA2AGAA
SCHEMBL17178242 0.78 DRD1 (0.46) ALDH1A1USP8DRD1MAPTKMT2A
SCHEMBL19371622 0.76 DRD1 (0.54) DRD1
SCHEMBL15698821 0.73 DRD1 (0.46) DRD1
SCHEMBL15698728 0.70 DRD1 (0.40) CRHR1CYP1A1CYP1B1ALDH1A1DRD1
SCHEMBL17174385 0.70 DRD1 (0.43) DRD1
SCHEMBL20171985 0.69 HSP90AB1 (0.43) ALDH1A1USP8DRD1GAAKMT2A
SCHEMBL20767348 0.69 AR (0.59) ALDH1A1GAAKDM4E

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CRHR1 91/4885EGFR 3579/4885ADORA1 1273/4885

“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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