SCHEMBL24939868

SCHEMBL24939868

COc1ccc2c(c1)c(CN1CCN3C(=O)CNC(=O)C3C1)cn2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.53
▸ PLA2G2A P14555 3/20 0.50
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ CACNB4 O00305 1/20 0.43
▸ CACNA1A O00555 1/20 0.43
▸ CACNA1G O43497 1/20 0.43
▸ CACNG3 O60359 1/20 0.43
▸ CACNA1F O60840 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ CACNB3 P54284 1/20 0.43
▸ CACNA2D1 P54289 1/20 0.43
▸ CACNG7 P62955 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ CACNA1D Q01668 1/20 0.43
▸ CACNB1 Q02641 1/20 0.43
▸ CACNG1 Q06432 1/20 0.43
▸ CACNB2 Q08289 1/20 0.43

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
SCHEMBL24939945 0.91 PPARD (0.46) HTR6PLA2G2ACACNB4CACNA1ACACNA1G
SCHEMBL24938979 0.87 CACNB4 (0.43) HTR6PLA2G2ACACNB4CACNA1ACACNA1G
SCHEMBL24939886 0.86 HTR6 (0.45) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL24940035 0.86 HTR6 (0.50) HTR6PLA2G2AMTNR1AMTNR1BALDH1A1
SCHEMBL24939995 0.81 HDAC3 (0.42) HTR6ALDH1A1CACNB4CACNA1ACACNA1G
SCHEMBL24939957 0.80 F10 (0.41) HTR6ALDH1A1KDM4E
SCHEMBL24152329 0.77 GSK3B (0.50) ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL24939910 0.75 HTR6 (0.41) HTR6ALDH1A1TSHRCYP2C19
SCHEMBL24938955 0.74 LMNA (0.49) ALDH1A1LMNATSHRHTR2A
SCHEMBL12083183 0.73 PLA2G2A (0.74) HTR6PLA2G2AMTNR1AMTNR1BALDH1A1

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 HTR6 4533/4885PLA2G2A 2182/4885MTNR1A 2359/4885

“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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