SCHEMBL8684589

SCHEMBL8684589

CCC(=O)NC1(C)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 5/20 0.37
LMNA P02545 1/20 0.36
DPP4 P27487 2/20 0.35
CYP2C19 P33261 1/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR3 O14843 2/20 0.32
CNR2 P34972 1/20 0.32
CETP P11597 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL18793892 0.98 CYP2C9 (0.35) ANO1LMNADPP4CYP2C19CYP2C9
SCHEMBL18219589 0.93 ANO1 (0.36) ANO1LMNACYP2C9MEN1KMT2A
SCHEMBL828036 0.89
SCHEMBL24974708 0.83 LMNA (0.49) ANO1LMNADPP4HDAC3HDAC1
SCHEMBL8689464 0.83 LMNA (0.49) ANO1LMNADPP4HDAC3HDAC1
SCHEMBL5143779 0.83 DPP4 (0.35) ANO1LMNADPP4CYP2C19MEN1
SCHEMBL852232 0.83 HDAC3 (0.37) ANO1LMNADPP4MEN1KMT2A
SCHEMBL11336001 0.81 ALDH1A1 (0.35) ANO1LMNADPP4MEN1KMT2A
SCHEMBL11341028 0.81 ALDH1A1 (0.35) ANO1LMNADPP4MEN1KMT2A
SCHEMBL8399442 0.81 DPP4 (0.34) ANO1LMNADPP4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780473-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US claimed
US-11820758-B2 NEK6 kinase inhibitors useful for the treatment of solid tumors CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2023-11-21 US disclosed
US-11820758-B2 NEK6 kinase inhibitors useful for the treatment of solid tumors CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2023-11-21 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-20210147395-A1 NEK6 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF SOLID TUMORS CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2021-05-20 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
EP-2780337-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME (US) 2017-12-20 EP disclosed
US-20150284371-A1 HETEROCYCLE-BISAMIDE INHIBITORS OF SCAVENGER RECEPTOR BI THE BROAD INSTITUTE, INC. 2015-10-08 US disclosed
US-5780473-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 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 (5 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-20210147395-A1 NEK6 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF SOLID TUMORS NEK4, NEK2, NEK1 ANO1 4048/4885LMNA 1561/4885DPP4 4008/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ANO1 1906/4885LMNA 816/4885DPP4 4822/4885
US-20150284371-A1 HETEROCYCLE-BISAMIDE INHIBITORS OF SCAVENGER RECEPTOR BI SCARB1, MSR1, LDLR ANO1 3326/4885LMNA 1941/4885DPP4 2848/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ANO1 1951/4885LMNA 600/4885DPP4 4827/4885
US-11820758-B2 NEK6 kinase inhibitors useful for the treatment of solid tumors NEK4, NEK2, NEK1 ANO1 4048/4885LMNA 1561/4885DPP4 4008/4885

“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.