SCHEMBL5522852

SCHEMBL5522852

CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](O)[C@H](c3ccc(F)cc3)[C@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
TACR1 P25103 3/20 0.46
USP30 Q70CQ3 2/20 0.44
RORC P51449 4/20 0.42
LIPE Q05469 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL5520664 1.00 HDAC1 (0.48) HDAC1HDAC2TACR1USP30RORC
SCHEMBL3177397 0.88 GPR119 (0.50) TACR1USP30RORCLIPEGPR119
SCHEMBL13461072 0.88 GPR119 (0.50) TACR1USP30RORCLIPEGPR119
SCHEMBL13433734 0.88 GPR119 (0.50) TACR1USP30RORCLIPEGPR119
SCHEMBL3180166 0.82 TACR1 (0.44) TACR1
SCHEMBL5989023 0.82 TACR1 (0.44) TACR1
SCHEMBL3172844 0.82 TACR1 (0.44) TACR1
SCHEMBL3181798 0.82 TACR1 (0.44) TACR1
SCHEMBL3184361 0.82 TACR1 (0.44) TACR1
SCHEMBL3177278 0.82 TACR1 (0.44) TACR1

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-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2007-07-12 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-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 HDAC1 1895/4885HDAC2 2006/4885TACR1 1/4885

“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.