SCHEMBL4018439

SCHEMBL4018439

CC(OCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(C(F)(F)F)cc(Br)n1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.60
TACR3 P29371 3/20 0.45
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL4977388 0.92 TACR1 (0.51) TACR1
SCHEMBL13746653 0.91 TACR1 (0.61) TACR1TACR3ALOX15TSHR
SCHEMBL3593353 0.84 TACR1 (0.62) TACR1TACR3
SCHEMBL3587152 0.84 TACR1 (0.62) TACR1TACR3
SCHEMBL3587155 0.84 TACR1 (0.62) TACR1TACR3
SCHEMBL4018441 0.81 TACR1 (0.65) TACR1
SCHEMBL4023959 0.81 TACR1 (0.53) TACR1TACR3
SCHEMBL8544652 0.81 TACR1 (0.69) TACR1TACR3
SCHEMBL4105314 0.80 TACR1 (0.53) TACR1
SCHEMBL12290997 0.79 TACR1 (0.55) TACR1TACR3ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071778-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-06 US disclosed
US-8071778-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-06 US disclosed
US-8071778-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-06 US disclosed
WO-2009096941-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-06 WO disclosed
EP-2069328-A2 4-ARYLALKOXYMETHYL-4-PHENYL PIPERIDINES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS Brystol-Myers Squibb Company (US) 2009-06-17 EP disclosed
US-20090030040-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-29 US disclosed
US-20090030040-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-29 US disclosed
US-20090030040-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-29 US disclosed
US-20080027056-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 US disclosed
WO-2008014247-A2 4 -ARYLALKOXYMETHYL-4- PHENYL PIPERIDINES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-31 WO disclosed
US-20080027056-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 US disclosed
WO-2008014247-A2 4 -ARYLALKOXYMETHYL-4- PHENYL PIPERIDINES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-31 WO disclosed
US-20080027056-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 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 (2 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-20080027056-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS CNR1, CNR2, PMP22 TACR1 835/4885TACR3 1222/4885ALOX15 2231/4885
US-20090030040-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 TACR1 835/4885TACR3 1222/4885ALOX15 2231/4885

“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.