SCHEMBL3713202

SCHEMBL3713202

CC(C)(C)OC(=O)N1CC(CNC(=O)N2Cc3ccccc3C2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 1.00
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
DRD2 P14416 1/20 0.47
MAPK1 P28482 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
ACKR3 P25106 1/20 0.46

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
SCHEMBL3705580 0.85 NAMPT (0.74) NAMPT
SCHEMBL25383494 0.81 NAMPT (0.69) NAMPT
SCHEMBL24118454 0.81 NAMPT (0.69) NAMPT
SCHEMBL6122023 0.80 NAMPT (0.67) NAMPT
SCHEMBL24118476 0.79 NAMPT (0.69) NAMPT
SCHEMBL25384588 0.79 NAMPT (0.69) NAMPT
SCHEMBL30589071 0.79 NAMPT (0.69) NAMPT
SCHEMBL24118066 0.79 NAMPT (0.69) NAMPT
SCHEMBL30589057 0.79 NAMPT (0.69) NAMPT
SCHEMBL24118752 0.79 NAMPT (0.66) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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 (3 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK NAMPT 1/4885KDM4E 2048/4885PKM 962/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885KDM4E 3173/4885PKM 1206/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885KDM4E 3173/4885PKM 1206/4885

“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.