SCHEMBL23675939

SCHEMBL23675939

CCC1COC=C(C(=O)OC)C1CC1NCCc2c1[nH]c1ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.44
▸ CHRM4 P08173 5/20 0.44
▸ HTR7 P34969 5/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ PRMT5 O14744 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ MAPKAPK2 P49137 1/20 0.42
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41

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
SCHEMBL19353679 0.87 CHRM4 (0.45) GRIN2BCHRM4HTR7DRD2PRMT5
SCHEMBL19353678 0.80 CYP2D6 (0.44) GRIN2BCHRM4HTR7DRD2PRMT5
SCHEMBL23675917 0.80 CYP2D6 (0.44) GRIN2BCHRM4HTR7DRD2PRMT5
SCHEMBL22919319 0.73 HTR1A (0.47) GRIN2BCHRM4HTR7DRD2PRMT5
SCHEMBL8322968 0.71 GRIN2B (0.70) GRIN2BCHRM4HTR7DRD2MAPKAPK2
SCHEMBL29756361 0.71 GRIN2B (0.70) GRIN2BCHRM4HTR7DRD2MAPKAPK2
SCHEMBL21883968 0.71 GRIN2B (0.70) GRIN2BCHRM4HTR7DRD2MAPKAPK2
Strictosidine SCHEMBL29456742 0.71 HTR1A (0.56) MEN1KMT2A
Strictosidine SCHEMBL8322946 0.71 HTR1A (0.56) MEN1KMT2A
Strictosidine SCHEMBL29456822 0.71 HTR1A (0.56) MEN1KMT2A

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-11072613-B2 Compositions and methods for making terpenoid indole alkaloids WILLOW BIOSCIENCES, INC. (CA) 2021-07-27 — — 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-11072613-B2 Compositions and methods for making terpenoid indole alkaloids INMT, TIPARP, PNMT GRIN2B 4103/4885CHRM4 2703/4885HTR7 184/4885

“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.

Send feedback