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SCHEMBL20116446

SCHEMBL20116446

COC(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.53
▸ GAA P10253 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA4 P22748 1/20 0.53
▸ CA6 P23280 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ CA13 Q8N1Q1 1/20 0.53
▸ RAB9A P51151 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HIF1A Q16665 1/20 0.51

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
SCHEMBL30506338 1.00 KMT2A (0.57) KMT2AMEN1ALDH1A1GAACA1
SCHEMBL20116142 0.88 POLB (0.60) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL20676549 0.85 KMT2A (0.52) KMT2AMEN1ALDH1A1GAARAB9A
SCHEMBL21609968 0.85 KMT2A (0.52) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL20117008 0.85 KMT2A (0.50) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL20116514 0.84 NPC1 (0.65) KMT2AMEN1ALDH1A1GAACA1
SCHEMBL20117205 0.84 NPC1 (0.65) KMT2AMEN1ALDH1A1GAACA1
SCHEMBL21609969 0.83 KMT2A (0.51) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL20116652 0.83 KMT2A (0.51) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL20116498 0.83 RAB9A (0.52) KMT2AMEN1ALDH1A1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 — — CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 — — CN disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 — — US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 — — WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 — — WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 — — 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 KMT2A 2479/4885MEN1 1807/4885ALDH1A1 656/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KMT2A 2479/4885MEN1 1807/4885ALDH1A1 656/4885

“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.