SCHEMBL705179

SCHEMBL705179

Cc1ccccc1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]2CC[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.47
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
GBA1 P04062 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
MAPT P10636 1/20 0.39
SCN4A P35499 2/20 0.39
SLC18A3 Q16572 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
SCHEMBL1335166 0.81 FUCA1 (0.60) FUCA1DRD2DRD3GBA1ALDH1A1
SCHEMBL16497869 0.81 FUCA1 (0.60) FUCA1DRD2DRD3GBA1ALDH1A1
SCHEMBL67177 0.81 FUCA1 (0.60) FUCA1DRD2DRD3GBA1ALDH1A1
SCHEMBL46428 0.81 FUCA1 (0.60) FUCA1DRD2DRD3GBA1ALDH1A1
SCHEMBL3172366 0.78 FUCA1 (0.47) FUCA1DRD2DRD3SIGMAR1SLC18A3
SCHEMBL5988675 0.78 FUCA1 (0.47) FUCA1DRD2DRD3SIGMAR1SLC18A3
SCHEMBL5991010 0.78 FUCA1 (0.47) FUCA1DRD2DRD3SIGMAR1SLC18A3
SCHEMBL3174670 0.78 FUCA1 (0.47) FUCA1DRD2DRD3SIGMAR1SLC18A3
SCHEMBL5989164 0.78 FUCA1 (0.47) FUCA1DRD2DRD3SIGMAR1SLC18A3
SCHEMBL27669160 0.78 FUCA1 (0.47) FUCA1DRD2DRD3SIGMAR1SLC18A3

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 FUCA1 2037/4885DRD2 109/4885DRD3 142/4885

“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.