SCHEMBL4153535

SCHEMBL4153535

CC1(C)C(=O)N(c2ccccc2)C(=O)N1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.47
EGLN1 Q9GZT9 1/20 0.42
AR P10275 2/20 0.42
ALDH1A1 P00352 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
PGR P06401 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL13803703 0.89 ELANE (0.46) ELANEARALDH1A1PPARGPPARD
SCHEMBL8814733 0.76 AR (0.46) ELANEARPGRTAS2R8IGF1R
SCHEMBL13039129 0.74 IGF1R (0.67) ALDH1A1TAS2R8IGF1R
SCHEMBL19923441 0.73 GRM4 (0.57) ELANEARALDH1A1PGR
SCHEMBL8030958 0.73 ELANE (0.46) ELANEARTAS2R8IGF1R
SCHEMBL7784176 0.72 AR (0.71) ARPGR
SCHEMBL4005049 0.71 ELANE (0.42) ELANEALDH1A1PGR
SCHEMBL11654508 0.70 PGR (0.58) ELANEALDH1A1PGR
SCHEMBL8023307 0.70 TAS2R8 (0.47) ELANETAS2R8IGF1R
SCHEMBL6278686 0.69 BCHE (0.43) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT ELANE 1219/4885EGLN1 553/4885AR 160/4885

“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.