SCHEMBL4528016

SCHEMBL4528016

CC(C)C1N(C(=O)N2CCC(N3CCCC3)CC2)C=C(C(=O)O)c2[nH]c3ccccc3c2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 10/20 0.40
L3MBTL1 Q9Y468 9/20 0.40
TP53BP1 Q12888 3/20 0.39
MBTD1 Q05BQ5 2/20 0.39
ALDH1A1 P00352 1/20 0.37
NR1H4 Q96RI1 6/20 0.36
CHRM1 P11229 1/20 0.36
CYP3A4 P08684 1/20 0.36
CALCRL Q16602 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
L3MBTL4 Q8NA19 1/20 0.35

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
SCHEMBL4519590 0.93 NR1H4 (0.38) L3MBTL3L3MBTL1ALDH1A1NR1H4ACACB
SCHEMBL4520698 0.92 NR1H4 (0.40) NR1H4
SCHEMBL4527486 0.91 NR1H4 (0.40) ALDH1A1NR1H4
SCHEMBL4528963 0.91 PRKCB (0.38) ALDH1A1NR1H4CHRM1
SCHEMBL4523445 0.86 NR1H4 (0.41) NR1H4
SCHEMBL4528374 0.86 NR1H4 (0.38) NR1H4
SCHEMBL4525870 0.85 NR1H4 (0.43) ALDH1A1NR1H4
SCHEMBL4523812 0.85 HRH4 (0.42) NR1H4
SCHEMBL4536855 0.84 NR1H4 (0.36) ALDH1A1NR1H4
SCHEMBL4526606 0.84 NR1H4 (0.38) ALDH1A1NR1H4

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-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 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-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents NR1H4, NR1I2, GPBAR1 L3MBTL3 4884/4885L3MBTL1 4882/4885TP53BP1 3575/4885

“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.