SCHEMBL24153600

SCHEMBL24153600

CCc1sc2ccccc2c1CN1CCN2C(=O)CN(CCc3ccccc3)C(=O)C2C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ NPY1R P25929 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL24153602 0.93 HSD17B10 (0.38) MCHR1HSD17B10ACHEHTR1ACYP2D6
SCHEMBL24153475 0.92 KMT2A (0.38) HTR1ANPY1R
SCHEMBL24153499 0.90 HTR1A (0.39) HTR1ANPY1R
SCHEMBL24153493 0.89 HDAC6 (0.38) —
SCHEMBL24153472 0.89 HTR1A (0.39) HTR1ANPY1R
SCHEMBL24153512 0.88 — —
SCHEMBL24153613 0.87 NPY1R (0.36) HTR1ANPY1R
SCHEMBL24153484 0.86 NPY1R (0.37) HTR1ANPY1R
SCHEMBL24939891 0.86 LMNA (0.42) HTR1ANPY1R
SCHEMBL24938892 0.86 NPY1R (0.41) HTR1ANPY1R

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-2021261969-A1 PREPARATION METHOD FOR NOVEL COMPOUND 홀로스메딕 주식회사 2021-12-30 — — 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 MCHR1 4596/4885HSD17B10 1791/4885ACHE 4371/4885

“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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