SCHEMBL24940019

SCHEMBL24940019

CC1(C)NC(=O)C2CN(Cc3c(Cc4ccc(F)cc4)sc4ccccc34)CCN2C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ CASP3 P42574 1/20 0.34
▸ THRB P10828 1/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ NPY1R P25929 1/20 0.31
▸ TACR1 P25103 5/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL24940024 0.93 CYP2D6 (0.33) CYP2D6CHRM1HTR2AHRH1CASP3
SCHEMBL24939917 0.92 SMN1; SMN2 (0.36) CYP2D6CHRM1HTR2AHRH1NPY1R
SCHEMBL24940021 0.91 NPY1R (0.40) CYP2D6CHRM1HTR2AHRH1DRD2
SCHEMBL24939991 0.91 NPY1R (0.34) CYP2D6CHRM1HTR2AHRH1NPY1R
SCHEMBL24939925 0.91 FAAH (0.34) CYP2D6CHRM1HTR2AHRH1DRD2
SCHEMBL24939986 0.84 CYP2D6 (0.42) CYP2D6CHRM1HTR2AHRH1CASP3
SCHEMBL24938920 0.84 NPY1R (0.35) CYP2D6CHRM1HTR2AHRH1NPY1R
SCHEMBL24940047 0.82 CYP1A2 (0.35) CYP2D6DRD2HTR7HTR1AKDM4E
SCHEMBL24940032 0.82 CNR2 (0.35) CYP2D6CHRM1HTR2AHRH1HTR7
SCHEMBL24939929 0.82 NPY1R (0.35) NPY1RCHRM3

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-20230019094-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME HOLOSMEDIC (KR) 2023-01-19 — — 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-20230019094-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCC1 CYP2D6 4448/4885CHRM1 4733/4885HTR2A 4864/4885

“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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