SCHEMBL20402682

SCHEMBL20402682

Cc1nc2sccn2c(=O)c1CCN1CCC(C)(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.64
▸ HTR2A P28223 8/20 0.64
▸ HTR1A P08908 7/20 0.64
▸ HTR2C P28335 4/20 0.64
▸ CYP2D6 P10635 3/20 0.64
▸ MAPT P10636 3/20 0.64
▸ TSHR P16473 3/20 0.64
▸ TDP1 Q9NUW8 3/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ PKM P14618 3/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ ADRA1A P35348 3/20 0.64
▸ HRH1 P35367 3/20 0.64
▸ LMNA P02545 2/20 0.64
▸ TP53 P04637 2/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ ALOX15 P16050 2/20 0.64
▸ DGKA P23743 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.64

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
Hydrochloric Acid SCHEMBL10945457 0.84 HTR1A (0.64) DRD2HTR2AHTR1AHTR2CCYP2D6
Hydrochloric Acid SCHEMBL10923635 0.83 DRD2 (0.70) DRD2HTR2AHTR1AHTR2CCYP2D6
SCHEMBL15999621 0.83 HTR1A (0.65) DRD2HTR2AHTR1AHTR2CCYP2D6
SCHEMBL10926120 0.78 CYP2D6 (0.70) DRD2HTR2AHTR1AHTR2CCYP2D6
SCHEMBL7407787 0.78 CYP2D6 (0.59) DRD2HTR2AHTR1AHTR2CCYP2D6
Ritanserin SCHEMBL49227 0.78 MAPT (1.00) DRD2HTR2AHTR1AHTR2CCYP2D6
Ritanserin SCHEMBL10598671 0.77 MAPT (0.98) DRD2HTR2AHTR1AHTR2CCYP2D6
SCHEMBL10919317 0.77 HTR2C (0.73) DRD2HTR2AHTR1AHTR2CCYP2D6
SCHEMBL8804386 0.76 PKM (0.62) DRD2HTR2AHTR1AHTR2CCYP2D6
SCHEMBL316891 0.75 MAPT (1.00) DRD2HTR2AHTR1AHTR2CCYP2D6

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-10028922-B2 Method for enhancing folding and transport of misfolded glucocerebrosidase THE HOSPITAL FOR SICK CHILDREN (CA) 2018-07-24 — — 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-10028922-B2 Method for enhancing folding and transport of misfolded glucocerebrosidase GBA1, GBA3, GAA DRD2 4459/4885HTR2A 4146/4885HTR1A 4482/4885

“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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