SCHEMBL5520665

SCHEMBL5520665

CC(C)(C)C1[C@@H]2CC[C@H](O)[C@@H](c3ccc(F)cc3)[C@@H]2CN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
PAX8 Q06710 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TACR1 P25103 4/20 0.31
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC18A3 Q16572 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL5522854 1.00 NOTUM (0.36) NOTUMNPC1RAB9AMAPTPAX8
SCHEMBL3177401 0.89 RIPK1 (0.38) SLC18A3
SCHEMBL707044 0.78 HDAC4 (0.34) MAPT
SCHEMBL2114467 0.77
SCHEMBL5527479 0.76 TACR1 (0.44) TACR1
SCHEMBL5522705 0.76 TACR1 (0.44) TACR1
SCHEMBL5520592 0.75 TACR1 (0.65) TACR1
SCHEMBL5522716 0.75 TACR1 (0.43) TACR1
SCHEMBL5528172 0.75 TACR1 (0.43) TACR1
SCHEMBL5524310 0.75 TACR1 (0.43) 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 NOTUM 4530/4885NPC1 1744/4885RAB9A 4130/4885

“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.