SCHEMBL17313486

SCHEMBL17313486

COC1=C(c2ccc(N(Cc3ccccc3)C(=O)O)c(OC(C)C)c2)CCN(C)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 9/20 0.38
▸ CHRM1 P11229 9/20 0.38
▸ HTR6 P50406 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ CHRNA7 P36544 2/20 0.35
▸ TSPO P30536 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 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
SCHEMBL15283617 0.76 DRD2 (0.38) CHRM5CHRM1HTR6MAPT
SCHEMBL17313489 0.74 BRD4 (0.45) MAPT
SCHEMBL28436551 0.74 CHRM5 (0.36) CHRM5CHRM1
SCHEMBL17313491 0.73 TP53 (0.37) CHRM1HTR6TSPOMAPT
SCHEMBL17580583 0.71 DRD2 (0.40) HTR6PDE4APDE4BPDE4CPDE4D
SCHEMBL17313485 0.70 PKM (0.39) CHRM1
SCHEMBL2182332 0.64 MAOA (0.46) HTR6CHRNA7TSPO
SCHEMBL18309476 0.61 HTR1A (0.48) HTR6MAPT
SCHEMBL282691 0.60 CHRM1 (0.48) CHRM5CHRM1
SCHEMBL9270829 0.60 ALDH1A1 (0.47) TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9744176-B2 Therapeutic uses of novel thienopyrimidine derivatives SANOFI (FR) 2017-08-29 — — US disclosed
US-20150352124-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2015-12-10 — — 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-20150352124-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR CHRM5 3785/4885CHRM1 3562/4885HTR6 1325/4885

“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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