SCHEMBL18711706

SCHEMBL18711706

CCC(C)(C)C(=O)N1CCc2ccccc2[C@H]1C(=O)NC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.49
TRPM8 Q7Z2W7 1/20 0.47
ACE P12821 3/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
XIAP P98170 2/20 0.40
ACKR3 P25106 1/20 0.40
F11 P03951 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MTNR1B P49286 1/20 0.40
GHSR Q92847 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39

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
SCHEMBL18701726 0.88 TRPM8 (0.50) RIPK1TRPM8ACEMEN1KMT2A
SCHEMBL18701727 0.88 TRPM8 (0.50) RIPK1TRPM8ACEMEN1KMT2A
SCHEMBL18711699 0.86 ACE (0.50) TRPM8ACEMEN1ALDH1A1KMT2A
SCHEMBL18711701 0.84 TRPM8 (0.51) TRPM8ACEXIAPACKR3MTNR1B
SCHEMBL3612823 0.77 XIAP (0.44) RIPK1ACEXIAPF11GHSR
SCHEMBL3615474 0.77 RIPK1 (0.41) RIPK1ACEXIAPF11MTNR1B
SCHEMBL3610687 0.76 RIPK1 (0.40) RIPK1ACEXIAPF11
SCHEMBL3608895 0.76 XIAP (0.40) RIPK1ACEXIAPF11
SCHEMBL3612314 0.75 XIAP (0.43) RIPK1ACEXIAPF11GHSR
SCHEMBL9744383 0.75 HDAC8 (0.43) TRPM8ACEMEN1ALDH1A1KMT2A

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 RIPK1 2586/4885TRPM8 3026/4885ACE 741/4885

“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.