SCHEMBL1974509

SCHEMBL1974509

CCCNn1c(C)c(C(=O)N[C@@H](CC)c2ccccc2F)c(C)c(Br)c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.33
TACR3 P29371 8/20 0.33
CYP3A4 P08684 2/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
TACR2 P21452 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 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
SCHEMBL10150961 0.89 PPARG (0.40) MEN1KMT2A
SCHEMBL1973564 0.86 TACR3 (0.46) TACR3CYP3A4TACR2MEN1ALDH1A1
SCHEMBL1974430 0.84 PKM (0.39) TACR3CYP3A4TACR2MEN1ALDH1A1
SCHEMBL1974417 0.84 CYP26A1 (0.40) CTSATACR3CYP3A4ITGB1ITGA4
SCHEMBL1974289 0.83 TACR3 (0.40) TACR3CYP3A4TACR2MEN1ALDH1A1
SCHEMBL1975060 0.80 PPARG (0.40) TACR3CYP3A4TACR2MEN1ALDH1A1
SCHEMBL1974078 0.77 ALDH1A1 (0.45) TACR3TACR2MEN1ALDH1A1TP53
SCHEMBL1975767 0.75 RIPK1 (0.42) TACR3MEN1ALDH1A1CYP2C9MAPK1
SCHEMBL10150603 0.74 CNR1 (0.44) CYP3A4MEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL1974248 0.74 MEN1 (0.41) TACR3MEN1ALDH1A1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US claimed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 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-20110144164-A1 Pyridone derivatives as NK3 antagonists KCNK3, GRIK3, KCND3 CTSA 2213/4885TACR3 26/4885CYP3A4 859/4885

“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.