SCHEMBL13890643

SCHEMBL13890643

C[C@H]1C(c2ccccc2)N(C(=O)C2CCCCC2)C(=O)N1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RIPK1 Q13546 4/20 0.43
LMNA P02545 1/20 0.40
BRD4 O60885 1/20 0.40
HTT P42858 1/20 0.40
CFTR P13569 1/20 0.39
CNR1 P21554 2/20 0.39
ELANE P08246 2/20 0.39
CNR2 P34972 1/20 0.39
BCHE P06276 1/20 0.38
HTR2A P28223 1/20 0.38
KEAP1 Q14145 1/20 0.37
CCR5 P51681 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL13875774 1.00 TSHR (0.48) TSHRMEN1KMT2ARIPK1LMNA
SCHEMBL463912 0.79 TSHR (0.56) TSHRMEN1KMT2ARIPK1LMNA
SCHEMBL464236 0.75 MEN1 (0.52) TSHRMEN1KMT2ARIPK1LMNA
SCHEMBL416900 0.75 TSHR (0.52) TSHRMEN1KMT2ARIPK1LMNA
SCHEMBL7806213 0.74 TSHR (0.51) TSHRMEN1KMT2ARIPK1LMNA
SCHEMBL6495106 0.73 TSHR (0.45) TSHRMEN1KMT2AHTTCNR1
SCHEMBL6495111 0.73 TSHR (0.45) TSHRMEN1KMT2AHTTCNR1
SCHEMBL6495108 0.73 TSHR (0.45) TSHRMEN1KMT2AHTTCNR1
SCHEMBL14569802 0.71 KMT2A (0.72) TSHRMEN1KMT2ABRD4ELANE
SCHEMBL13986305 0.70 MEN1 (0.47) TSHRMEN1KMT2ARIPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-30 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 (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-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A TSHR 4661/4885MEN1 1606/4885KMT2A 1763/4885

“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.