SCHEMBL705741

SCHEMBL705741

Cc1ccccc1[C@H]1[C@@H]2CN(C(=O)O)C[C@H]2CC[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
HSD11B1 P28845 1/20 0.37
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
GRIN2B Q13224 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.33
CHRM1 P11229 2/20 0.33
KIF11 P52732 1/20 0.33
PROKR1 Q8TCW9 2/20 0.32
RIPK1 Q13546 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL707043 0.84 GPR119 (0.46)
SCHEMBL10068041 0.84 GPR119 (0.46)
SCHEMBL10038438 0.84 GPR119 (0.46)
SCHEMBL2800431 0.82 RAB9A (0.37) HDAC4TSHRGRIN2BSMN1; SMN2
SCHEMBL5025626 0.82 RAB9A (0.37) HDAC4TSHRGRIN2BSMN1; SMN2
SCHEMBL705179 0.78 FUCA1 (0.47) GRIN2BMAPT
SCHEMBL5989023 0.74 TACR1 (0.44) GRIN2BMAPT
SCHEMBL3177278 0.74 TACR1 (0.44) GRIN2BMAPT
SCHEMBL3184361 0.74 TACR1 (0.44) GRIN2BMAPT
SCHEMBL3181798 0.74 TACR1 (0.44) GRIN2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144503-B9 4-(octahydro-2H-isoindol-2-yl)-1,3-oxazol-4-one as TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-09-04 EP disclosed
EP-2144503-B1 4-(octahydro-2H-isoindol-2-yl)-1,3-oxazol-4-one as TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-03-27 EP disclosed
US-8124633-B2 Hydroxymethyl ether hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-20100105747-A1 HYDROXYMETHYL ETHER 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.) 2010-04-29 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-20100105747-A1 HYDROXYMETHYL ETHER HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS TACR1, HTR1D, TACR2 HDAC4 2471/4885HSD11B1 707/4885GAA 2763/4885

“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.