SCHEMBL22021707

SCHEMBL22021707

CCOc1cccnc1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 4/20 0.45
▸ GRM5 P41594 3/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ OPRL1 P41146 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PDE5A O76074 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 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
SCHEMBL24350922 0.81 CHRM4 (0.51) CHRM4CHRM2SLC6A2SLC6A4
SCHEMBL29300678 0.81 OPRL1 (0.40) CHRM4CHRM2OPRL1
SCHEMBL26265818 0.78 CHRM4 (0.37) CHRM4CHRM2OPRL1
SCHEMBL26269233 0.77 MEN1 (0.42) CHRM4GRM5CHRM2ALDH1A1
SCHEMBL23841511 0.77 CHRM4 (0.40) CHRM4CHRM2OPRL1SLC6A2SLC6A4
SCHEMBL21216421 0.77 OPRL1 (0.39) CHRM4CHRM2OPRL1SLC6A2SLC6A4
SCHEMBL16880332 0.76 CHRM4 (0.47) CHRM4CHRM2ALDH1A1SLC6A2SLC6A4
SCHEMBL365001 0.75 HTR1A (0.39) CHRM4CHRM2OPRL1SLC6A2SLC6A4
SCHEMBL17029329 0.74 OPRL1 (0.41) CHRM4CHRM2ALDH1A1OPRL1KDM4E
SCHEMBL367660 0.74 ADRA1A (0.42) CHRM4CHRM2SLC6A2SLC6A4

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-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents PFIZER INC. (US) 2020-05-26 — — 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-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents DPYD, PDXK, TYMP CHRM4 4090/4885GRM5 3264/4885CHRM2 4076/4885

“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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