SCHEMBL10229552

SCHEMBL10229552

CCc1ccc(C(O)CC(C)(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CACNA1I Q9P0X4 1/20 0.30
HTT P42858 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
SCHEMBL868276 0.81 PPARG (0.44) PPARGKDM4EL3MBTL1ESR1ESR2
SCHEMBL867987 0.79 PPARG (0.43) PPARGKDM4EL3MBTL1ESR1ESR2
SCHEMBL25160541 0.79 CCR1 (0.38) ESR1ESR2RAB9ACYP2D6
SCHEMBL868550 0.78 KDM4E (0.46) PPARGKDM4EL3MBTL1ESR1ESR2
SCHEMBL20644384 0.77 ESR1 (0.36) ESR1ESR2NPC1RAB9ASMN1; SMN2
SCHEMBL27515092 0.75 KDM4E (0.43) PPARGKDM4EL3MBTL1ESR1ESR2
SCHEMBL507486 0.74 NAMPT (0.47) L3MBTL1
SCHEMBL5513086 0.72 KDM4E (0.43) PPARGKDM4EL3MBTL1ESR1ESR2
SCHEMBL14116463 0.71 KDM4E (0.42) PPARGKDM4EL3MBTL1ESR1ESR2
SCHEMBL15119934 0.70 TSHR (0.44) KDM4ESMN1; SMN2CYP1A2CYP2D6

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-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PPARG 976/4885KDM4E 623/4885L3MBTL1 3191/4885

“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.