SCHEMBL23014510

SCHEMBL23014510

CCOC(=O)N1CCN(Cc2ccc(C(=O)NCC(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ CHRM5 P08912 1/20 0.52
▸ CHRM3 P20309 1/20 0.52
▸ HDAC4 P56524 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HRH2 P25021 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL23014236 0.87 KDM4E (0.56) KDM4EMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL23014093 0.84 ALDH1A1 (0.57) P2RY12KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL7475308 0.81 ALDH1A1 (0.70) KDM4EMAPK1ALDH1A1SMN1; SMN2PKM
SCHEMBL24590616 0.81 HDAC1 (0.56) ALDH1A1SMN1; SMN2HDAC4KCNH2HDAC1
SCHEMBL23014409 0.79 ALDH1A1 (0.73) KDM4EMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL23014255 0.78 DRD2 (0.68) MAPK1KCNH2
SCHEMBL25465034 0.78 HDAC4 (0.46) KDM4EMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL23014291 0.77 KDM4E (0.52) KDM4EMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL29733707 0.77 KDM4E (0.52) KDM4EMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL23014159 0.77 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2HDAC4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021034087-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND 주식회사 셀젠텍 2021-02-25 — — WO claimed
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 — — US disclosed
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 — — US disclosed
EP-4019495-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND Cellgentek Co., Ltd (KR) 2022-06-29 — — EP disclosed
WO-2021034087-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND 주식회사 셀젠텍 2021-02-25 — — 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-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND KNTC1, MED1, LEF1 P2RY12 3725/4885KDM4E 1427/4885MAPK1 220/4885

“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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