SCHEMBL3177401

SCHEMBL3177401

CC(C)(C)C1C2CCC(O)C(c3ccccc3)C2CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.38
SLC18A3 Q16572 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32

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
SCHEMBL5520665 0.89 NOTUM (0.36) SLC18A3
SCHEMBL5522854 0.89 NOTUM (0.36) SLC18A3
SCHEMBL707044 0.85 HDAC4 (0.34) RIPK1L3MBTL1
SCHEMBL2114467 0.80
SCHEMBL17104487 0.73 RIPK1 (0.43) RIPK1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL3991385 0.72 RIPK1 (0.41) RIPK1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL4099326 0.72 RIPK1 (0.41) RIPK1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL4114277 0.72 RIPK1 (0.41) RIPK1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL2800431 0.69 RAB9A (0.37) SLC18A3
SCHEMBL5025626 0.69 RAB9A (0.37) SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683068-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-03-23 US disclosed
US-7645790-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-01-12 US disclosed
US-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2009-02-26 US disclosed
US-20080280966-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.) 2008-11-13 US disclosed
US-7345083-B2 Hydroisoindoline tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-03-18 US disclosed
EP-1711465-B1 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-12-26 EP disclosed
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
US-7217731-B2 Hydroisoindoline tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-05-15 US disclosed
EP-1711465-A1 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2006-10-18 EP disclosed
WO-2005073191-A1 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2005-08-11 WO disclosed
US-20050165083-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.) 2005-07-28 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 (4 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-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 RIPK1 3079/4885SLC18A3 221/4885L3MBTL1 4173/4885
US-20050165083-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 RIPK1 3079/4885SLC18A3 221/4885L3MBTL1 4173/4885
US-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 RIPK1 3079/4885SLC18A3 221/4885L3MBTL1 4173/4885
US-20080280966-A1 Hydroisoindoline Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 RIPK1 3390/4885SLC18A3 223/4885L3MBTL1 4455/4885

“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.