SCHEMBL24940032

SCHEMBL24940032

CCCCCCc1sc2ccccc2c1CN1CCN2C(=O)C(C)(C)NC(=O)C2C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ NPY1R P25929 7/20 0.34
▸ FAAH O00519 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ HTR1A P08908 2/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ PTPN1 P18031 2/20 0.31
▸ CHRM1 P11229 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ S1PR4 O95977 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ S1PR5 Q9H228 1/20 0.30

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
SCHEMBL24938920 0.96 NPY1R (0.35) CNR2CNR1NPY1RPTPN1CHRM1
SCHEMBL24939951 0.86 CNR2 (0.35) CNR2CNR1NPY1RFAAHMGLL
SCHEMBL24940024 0.85 CYP2D6 (0.33) NPY1RHTR1AHTR7PTPN1CHRM1
SCHEMBL24940047 0.84 CYP1A2 (0.35) HTR1AHTR7CYP2D6
SCHEMBL24939979 0.83 NPY1R (0.42) NPY1R
SCHEMBL24939929 0.83 NPY1R (0.35) NPY1R
SCHEMBL24939917 0.83 SMN1; SMN2 (0.36) NPY1RCHRM1CYP2D6HTR2AHRH1
SCHEMBL24940021 0.82 NPY1R (0.40) NPY1RCHRM1CYP2D6HTR2AHRH1
SCHEMBL24939925 0.82 FAAH (0.34) NPY1RFAAHMGLLPTPN1CHRM1
SCHEMBL24940019 0.82 CYP2D6 (0.43) NPY1RHTR1AHTR7PTPN1CHRM1

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 CNR2 2996/4885CNR1 2669/4885NPY1R 4531/4885

“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