SCHEMBL15947752

SCHEMBL15947752

CC(C)(C)OC(=O)N1CC(CN2C(=O)c3cc(N)c(N)cc3C2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
NAMPT P43490 1/20 0.42
BACE1 P56817 3/20 0.40
BRD4 O60885 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CTSD P07339 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
JAK3 P52333 1/20 0.38
SMARCA2 P51531 2/20 0.37
SMARCA4 P51532 2/20 0.37
PBRM1 Q86U86 2/20 0.37
PIK3CA P42336 1/20 0.37
STS P08842 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
SCHEMBL767992 0.88 MAPT (0.39) NR1H2NAMPTBACE1BRD4HDAC1
SCHEMBL16098021 0.79 NR1H2 (0.49) NR1H2NAMPTBACE1CTSDKDM4E
SCHEMBL23871348 0.74 ACKR3 (0.51) NAMPTBACE1BRD4CTSDKDM4E
SCHEMBL21605864 0.74 ACKR3 (0.51) NAMPTBACE1BRD4CTSDKDM4E
SCHEMBL29244762 0.74 ACKR3 (0.51) NAMPTBACE1BRD4CTSDKDM4E
SCHEMBL793652 0.73 CTSD (0.52) BACE1CTSDKDM4EMAPTTHRB
SCHEMBL2069052 0.73 FEN1 (0.48) NAMPTBACE1BRD4CTSDKDM4E
SCHEMBL25411016 0.73 PIN1 (0.42) KDM4EMAPT
SCHEMBL31421325 0.72 BRD4 (0.46) NR1H2NAMPTBRD4KDM4E
SCHEMBL12635860 0.72 KDM4E (0.56) BACE1BRD4KDM4ESTS

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-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 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-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP NR1H2 1524/4885NAMPT 909/4885BACE1 3439/4885

“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.