SCHEMBL22164777

SCHEMBL22164777

CCc1oc2ccccc2c1CN1CCN2C(=O)CN(Cc3ccc(C#N)cc3)C(=O)C2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAOA P21397 3/20 0.34
▸ MAOB P27338 3/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL23967357 0.91 SIGMAR1 (0.39) LMNAALDH1A1KDM4EMAPTHTT
SCHEMBL22164696 0.90 LMNA (0.42) LMNAALDH1A1KDM4EMAPTHTT
SCHEMBL23967353 0.90 MAPT (0.37) LMNAALDH1A1KDM4EMAPTHTT
SCHEMBL22164683 0.89 HTR1A (0.35) LMNAALDH1A1KDM4EMAPTHTT
SCHEMBL22173770 0.89 LMNA (0.38) LMNAALDH1A1KDM4EMAPTHTT
SCHEMBL22164678 0.89 GRM2 (0.37) LMNAALDH1A1KDM4EMAPTHTT
SCHEMBL23967419 0.88 HTR1A (0.39) LMNAALDH1A1KDM4EMAPTHTT
SCHEMBL22165535 0.87 VKORC1 (0.38) LMNAALDH1A1KDM4EMAPTHTT
SCHEMBL22165377 0.86 DRD4 (0.37) ALDH1A1KDM4ETDP1HTR1AKMT2A
SCHEMBL22165531 0.83 ABCB1 (0.40) ALDH1A1KDM4EMAPTHTTHTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12139491-B2 Diketopiperazine derivatives as calcium ATPase inhibitor for enhancing anticancer activity HOLOSMEDIC (KR) 2024-11-12 — — US disclosed
EP-3903786-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR ENHANCING ANTICANCER ACTIVITY Holosmedic (KR) 2021-11-03 — — EP disclosed
WO-2020139044-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR ENHANCING ANTICANCER ACTIVITY 홀로스메딕 주식회사 2020-07-02 — — WO disclosed
WO-2020139044-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR ENHANCING ANTICANCER ACTIVITY 홀로스메딕 주식회사 2020-07-02 — — 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-12139491-B2 Diketopiperazine derivatives as calcium ATPase inhibitor for enhancing anticancer activity ATP1A1, ATP1B1, ATP1B2 LMNA 4218/4885ALDH1A1 2883/4885KDM4E 1648/4885

“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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