SCHEMBL706946

SCHEMBL706946

Cc1ccccc1[C@H]1[C@@H]2CNC[C@H]2CC[C@@H]1O[C@H](COC(=O)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.47
PRKG1 Q13976 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SSTR4 P31391 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
SCHEMBL706948 1.00 TACR1 (0.47) TACR1PRKG1HTR2AHTR2CHTR2B
SCHEMBL706947 1.00 TACR1 (0.47) TACR1PRKG1HTR2AHTR2CHTR2B
SCHEMBL2895363 0.86 TACR1 (0.46) TACR1PRKG1
SCHEMBL20420160 0.86 TACR1 (0.53) TACR1PRKG1HTR2AHTR2CHTR2B
SCHEMBL705294 0.86 TACR1 (0.53) TACR1PRKG1HTR2AHTR2CHTR2B
SCHEMBL20400483 0.86 TACR1 (0.53) TACR1PRKG1HTR2AHTR2CHTR2B
SCHEMBL705293 0.86 TACR1 (0.53) TACR1PRKG1HTR2AHTR2CHTR2B
SCHEMBL705498 0.84 TACR1 (0.44) TACR1PRKG1
SCHEMBL705499 0.81 TACR1 (0.38) TACR1PRKG1
SCHEMBL705962 0.81 TACR1 (0.45) TACR1PRKG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018136554-A1 USE OF NEUROKININ-1 ANTAGONISTS AS ANTITUSSIVES MENLO THERAPEUTICS INC. (US) 2018-07-26 WO disclosed
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 TACR1 1/4885PRKG1 1538/4885HTR2A 39/4885

“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.