SCHEMBL19353679

SCHEMBL19353679

C=CC1COC=C(C(=O)OC)C1CC1NCCc2c1[nH]c1ccccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 5/20 0.45
▸ HTR7 P34969 5/20 0.45
▸ DRD2 P14416 2/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ PRMT5 O14744 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ MAPKAPK2 P49137 1/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ CYP2D6 P10635 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40

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
SCHEMBL23675939 0.87 GRIN2B (0.44) CHRM4HTR7DRD2GRIN2BPRMT5
SCHEMBL23675917 0.84 CYP2D6 (0.44) CHRM4HTR7DRD2GRIN2BPRMT5
SCHEMBL19353678 0.84 CYP2D6 (0.44) CHRM4HTR7DRD2GRIN2BPRMT5
SCHEMBL22919319 0.77 HTR1A (0.47) CHRM4HTR7DRD2GRIN2BPRMT5
Strictosidine SCHEMBL29456742 0.75 HTR1A (0.56) HTR1AMEN1KMT2A
Strictosidine SCHEMBL29456822 0.75 HTR1A (0.56) HTR1AMEN1KMT2A
Strictosidine SCHEMBL8322946 0.75 HTR1A (0.56) HTR1AMEN1KMT2A
SCHEMBL17520610 0.69 GRIN2B (0.54) CHRM4HTR7DRD2GRIN2BMAPKAPK2
SCHEMBL8321835 0.68 KMT2A (0.70) CHRM4HTR7DRD2GRIN2BMAPKAPK2
Hydrochloric Acid SCHEMBL11249624 0.67 KMT2A (0.72) CHRM4HTR7DRD2GRIN2BMAPKAPK2

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-11072613-B2 Compositions and methods for making terpenoid indole alkaloids WILLOW BIOSCIENCES, INC. (CA) 2021-07-27 — — US disclosed
WO-2017152273-A1 COMPOSITIONS AND METHODS FOR MAKING TERPENOID INDOLE ALKALOIDS VINDOLON INC. (CA) 2017-09-14 — — 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 (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 CHRM4 2703/4885HTR7 184/4885DRD2 123/4885

“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