SCHEMBL23334390

SCHEMBL23334390

O=C1NCC(=O)N2CCN(C(=O)Cc3csc4ccccc34)CC12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ FFAR2 O15552 2/20 0.38
▸ CXCR3 P49682 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ MTNR1A P48039 1/20 0.35

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
SCHEMBL24939864 0.81 CHRNA7 (0.49) FAAHOPRM1OPRK1DRD2DRD4
SCHEMBL1375083 0.72 CYP2A6 (0.47) UTS2RFAAHOPRM1OPRK1FFAR2
Hydrochloric Acid SCHEMBL8151820 0.71 OPRM1 (0.49) UTS2RFAAHOPRM1OPRK1FFAR2
SCHEMBL22050334 0.66 CA12 (0.43) —
SCHEMBL1684666 0.66 FFAR2 (0.43) UTS2RFAAHOPRM1OPRK1FFAR2
SCHEMBL1374767 0.65 HDAC1 (0.48) UTS2RFAAHFFAR2SMN1; SMN2TP53
SCHEMBL24938970 0.65 CYP1A2 (0.38) SMN1; SMN2
SCHEMBL30337109 0.65 TSHR (0.47) FAAHOPRM1OPRK1DRD2DRD4
SCHEMBL23302562 0.64 NPY1R (0.35) —
SCHEMBL23303909 0.64 NPY1R (0.35) —

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-20230019094-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME HOLOSMEDIC (KR) 2023-01-19 — — US disclosed
WO-2021086038-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME 홀로스메딕 주식회사 2021-05-06 — — 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-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 UTS2R 1165/4885FAAH 4705/4885OPRM1 4443/4885

“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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