SCHEMBL20294451

SCHEMBL20294451

Cc1c(-c2ccccc2)cccc1-c1ccc(C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.49
CYP2A6 P11509 2/20 0.48
ALDH1A1 P00352 2/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47
PDCD1 Q15116 6/20 0.47
CD274 Q9NZQ7 6/20 0.47
ELANE P08246 1/20 0.41
PTGS2 P35354 1/20 0.40
NAT1 P18440 1/20 0.40
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
BRD4 O60885 1/20 0.39
PTGS1 P23219 1/20 0.37

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
SCHEMBL30498620 1.00 DRD1 (0.49) DRD1CYP2A6ALDH1A1DRD2DRD4
SCHEMBL29016808 0.87 APP (0.40) DRD1CYP2A6ALDH1A1DRD2DRD4
SCHEMBL35966 0.86 ALDH1A1 (0.59) DRD1CYP2A6ALDH1A1DRD2DRD4
SCHEMBL28602844 0.85 DRD1 (0.42) DRD1CYP2A6ALDH1A1DRD2DRD4
SCHEMBL30704990 0.85 DRD1 (0.42) DRD1CYP2A6ALDH1A1DRD2DRD4
SCHEMBL5964342 0.85 CYP2A6 (0.45) DRD1CYP2A6ALDH1A1DRD2DRD4
Hydrogen Sulfide SCHEMBL27896687 0.84 ALDH1A1 (0.56) DRD1CYP2A6ALDH1A1DRD2DRD4
SCHEMBL31620987 0.83 PDCD1 (0.51) PDCD1CD274
SCHEMBL20540439 0.82 DRD1 (0.41) DRD1CYP2A6ALDH1A1DRD2DRD4
SCHEMBL20540212 0.81 DRD1 (0.42) DRD1CYP2A6ALDH1A1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 US disclosed
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 US disclosed
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 US disclosed
WO-2018119263-A1 HETEROCYCLIC COMPOUNDS DERIVATIVES AS PD-L1 INTERNALIZATION INDUCERS INCYTE CORPORATION (US) 2018-06-28 WO disclosed
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
US-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
WO-2018119263-A1 HETEROCYCLIC COMPOUNDS DERIVATIVES AS PD-L1 INTERNALIZATION INDUCERS INCYTE CORPORATION (US) 2018-06-28 WO 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 (2 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-20180177784-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 DRD1 2793/4885CYP2A6 2011/4885ALDH1A1 122/4885
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 DRD1 2793/4885CYP2A6 2011/4885ALDH1A1 122/4885

“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.