SCHEMBL18016757

SCHEMBL18016757

OC[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.44
HTR2B P41595 7/20 0.44
HTR2A P28223 3/20 0.44
OPRM1 P35372 1/20 0.41
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
GRIN2B Q13224 1/20 0.36
HCN1 O60741 1/20 0.36

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
SCHEMBL16586799 1.00 HTR2C (0.44) HTR2CHTR2BHTR2AOPRM1HCRTR1
SCHEMBL16586800 1.00 HTR2C (0.44) HTR2CHTR2BHTR2AOPRM1HCRTR1
SCHEMBL19262115 1.00 HTR2C (0.44) HTR2CHTR2BHTR2AOPRM1HCRTR1
SCHEMBL15254790 0.84 HTR2C (0.63) HTR2CHTR2BHTR2A
SCHEMBL15254788 0.84 HTR2C (0.63) HTR2CHTR2BHTR2A
SCHEMBL16590861 0.84 HTR2C (0.49) HTR2CHTR2BHTR2AHCRTR1HCRTR2
SCHEMBL7058800 0.81 OPRM1 (0.40) HTR2CHTR2BHTR2AOPRM1HCRTR1
SCHEMBL18016882 0.81 HTR2C (0.49) HTR2CHTR2BHTR2AOPRM1HCRTR1
SCHEMBL16585302 0.79 HTR2C (0.69) HTR2CHTR2BHTR2A
SCHEMBL18016760 0.79 HTR2C (0.69) HTR2CHTR2BHTR2A

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
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 US disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 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-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 HTR2C 34/4885HTR2B 145/4885HTR2A 66/4885

“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.