SCHEMBL25930232

SCHEMBL25930232

CCc1cc(Br)cc2c(C(C)=O)nn(CC(=O)OC(C)(C)C)c12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
FPR2 P25090 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL29468351 1.00 MTNR1A (0.33) MTNR1AMTNR1BKDM4EALDH1A1JAK2
SCHEMBL25930645 0.93 MTNR1A (0.33) MTNR1AMTNR1BKDM4EALDH1A1HDAC6
SCHEMBL26679683 0.88 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL30207179 0.87 CFD (0.33) MTNR1AMTNR1BKDM4EALDH1A1JAK2
SCHEMBL21752293 0.87 CFD (0.33) MTNR1AMTNR1BKDM4EALDH1A1JAK2
SCHEMBL26679601 0.86 AAK1 (0.31) MTNR1AMTNR1BKDM4EALDH1A1HDAC6
SCHEMBL25930237 0.86 KDM4E (0.36) MTNR1AMTNR1BKDM4EALDH1A1JAK2
SCHEMBL29854951 0.85
SCHEMBL29468454 0.84 HDAC6 (0.33) MTNR1AMTNR1BFPR2HDAC6
SCHEMBL25930475 0.84 HDAC6 (0.33) MTNR1AMTNR1BFPR2HDAC6

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
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
CN-110603252-A Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders 艾其林医药公司 2019-12-20 CN 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-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH MTNR1A 2265/4885MTNR1B 1161/4885KDM4E 3553/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH MTNR1A 2265/4885MTNR1B 1161/4885KDM4E 3553/4885

“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.