SCHEMBL18711950

SCHEMBL18711950

CCC(C)(C)C(=O)N1CCN(c2ncc(-c3cccnc3)o2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.47
FAAH O00519 1/20 0.41
S1PR1 P21453 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
PRKDC P78527 1/20 0.39
PDK2 Q15119 1/20 0.39
KIT P10721 2/20 0.38
GBA1 P04062 1/20 0.38
AOC3 Q16853 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
RIPK1 Q13546 2/20 0.37
REV1 Q9UBZ9 1/20 0.37

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
SCHEMBL18702194 0.89 SPR (0.50) SPRCKS1BSKP1SKP2PDK2
SCHEMBL18711939 0.84 SPR (0.51) SPRFAAHCKS1BSKP1SKP2
SCHEMBL18711951 0.83 SPR (0.49) SPRS1PR1CKS1BSKP1SKP2
SCHEMBL18711949 0.81 SPR (0.48) SPRS1PR1CKS1BSKP1SKP2
SCHEMBL18702036 0.76 SPR (0.47) SPRCKS1BSKP1SKP2AOC3
SCHEMBL18702196 0.73 SPR (0.49) SPRCKS1BSKP1SKP2PDK2
SCHEMBL18702157 0.72 SPR (0.51) SPRFAAHCKS1BSKP1SKP2
SCHEMBL18702284 0.72 SPR (0.51) SPRCKS1BSKP1SKP2
SCHEMBL18702192 0.71 SPR (0.49) SPRCKS1BSKP1SKP2AOC3
SCHEMBL18711524 0.71 SPR (0.49) SPRCKS1BSKP1SKP2AOC3

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-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

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 1/4885FAAH 266/4885S1PR1 160/4885

“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.