SCHEMBL6483977

SCHEMBL6483977

O=C(OCC1(c2ccccc2)CCC2(CC1)OCCO2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.56
SLC6A4 P31645 7/20 0.43
TACR3 P29371 1/20 0.41

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
SCHEMBL6482875 0.83 TACR1 (0.59) TACR1SLC6A4
SCHEMBL6482859 0.79 TACR1 (0.72) TACR1SLC6A4
SCHEMBL8545581 0.77 TACR1 (0.72) TACR1SLC6A4
SCHEMBL6494585 0.77 TACR1 (0.57) TACR1SLC6A4TACR3
SCHEMBL8107943 0.75 TACR1 (0.55) TACR1SLC6A4
SCHEMBL6483273 0.74 TACR1 (0.46) TACR1SLC6A4
SCHEMBL6492051 0.74 TACR1 (0.46) TACR1SLC6A4TACR3
SCHEMBL6492048 0.74 TACR1 (0.46) TACR1SLC6A4TACR3
SCHEMBL6484962 0.72 TACR1 (0.43) TACR1SLC6A4
SCHEMBL6484970 0.72 TACR1 (0.43) TACR1SLC6A4

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-6953792-B2 Cyclohexyl derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2005-10-11 US disclosed
US-20030225059-A1 Cyclohexyl derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-04 US disclosed
EP-1286978-A1 CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
WO-2001087866-A1 CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO 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-20030225059-A1 Cyclohexyl derivatives and their use as therapeutic agents CNR2, CNR1, HRH2 TACR1 389/4885SLC6A4 2537/4885TACR3 2069/4885

“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.