SCHEMBL19658604

SCHEMBL19658604

CC(=O)N(C)CC1CCN(CC2CCOC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.39
ACHE P22303 1/20 0.37
HTR4 Q13639 1/20 0.37
MGLL Q99685 1/20 0.36
KDM4E B2RXH2 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL19658670 0.92 MGLL (0.39) NAMPTACHEHTR4MGLL
SCHEMBL19658599 0.92 KDM4E (0.40) NAMPTACHEHTR4KDM4EPOLB
SCHEMBL19652178 0.85 HTR4 (0.39) NAMPTHTR4MGLLKDM4EUBE2M
SCHEMBL18724551 0.83 NSD2 (0.39) KDM4EPOLBMAPTKMT2A
SCHEMBL19658671 0.81 ACHE (0.43) ACHEHTR4
SCHEMBL19658480 0.81 ACHE (0.47) ACHEHTR4
SCHEMBL5988002 0.80 PIK3CD (0.43) KDM4EPOLBMAPTKMT2A
SCHEMBL19658487 0.80 ACHE (0.50) ACHEHTR4
SCHEMBL19652169 0.78 MGLL (0.37) ACHEHTR4MGLL
SCHEMBL19658666 0.77 KMT2A (0.45) NAMPTACHEKDM4EKMT2A

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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 NAMPT 571/4885ACHE 2649/4885HTR4 3406/4885

“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.