SCHEMBL18702160

SCHEMBL18702160

CC(C)(C)C(=O)N1CC(c2ccc(F)cn2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.42
SCD O00767 1/20 0.40
SCD5 Q86SK9 1/20 0.40
HDAC4 P56524 2/20 0.39
PDK2 Q15119 7/20 0.39
GRM1 Q13255 2/20 0.38
PDK1 Q15118 3/20 0.36
NAMPT P43490 1/20 0.35
SLC6A9 P48067 1/20 0.35
RIPK1 Q13546 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
TACR3 P29371 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
SCHEMBL18701945 0.86 DRD2 (0.46) SPRHDAC4PDK2DRD2DRD4
SCHEMBL18711660 0.84 SPR (0.44) SPRSCDSCD5HDAC4GRM1
SCHEMBL20743115 0.82 ALOX5AP (0.45) GRM1
SCHEMBL20743045 0.76 USP30 (0.41) NAMPT
SCHEMBL19404832 0.76 TRPV3 (0.52)
SCHEMBL18702197 0.75 RIPK1 (0.52) SPRPDK2SLC6A9RIPK1
SCHEMBL18701968 0.74 SPR (0.42) SPRGRM1NAMPTRIPK1OPRM1
SCHEMBL30693230 0.73 KDM5A (0.43) SPRSCDSCD5NAMPT
SCHEMBL18711742 0.72 WNT3A (0.47) SPRTACR2TACR1TACR3
SCHEMBL18921447 0.72 RIPK1 (0.37) SPRHDAC4PDK2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR SPR 1/4885SCD 107/4885SCD5 291/4885

“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.