SCHEMBL6487482

SCHEMBL6487482

COc1ccccc1CNCC1(c2ccccc2)CCC(N2CCC(c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.66
KCNH2 Q12809 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 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
SCHEMBL6487485 1.00 TACR1 (0.66) TACR1KCNH2HTR2AHTR2CHTR2B
SCHEMBL6485065 0.84 TACR1 (0.67) TACR1
SCHEMBL6485061 0.84 TACR1 (0.67) TACR1
SCHEMBL6485283 0.80 TACR1 (1.00) TACR1KCNH2
SCHEMBL6484906 0.80 TACR1 (1.00) TACR1KCNH2
SCHEMBL6483302 0.80 TACR1 (1.00) TACR1KCNH2
SCHEMBL6483762 0.77 TACR1 (0.62) TACR1KCNH2
SCHEMBL6497500 0.77 TACR1 (0.62) TACR1KCNH2
SCHEMBL6497494 0.77 TACR1 (0.62) TACR1KCNH2
SCHEMBL6483767 0.77 TACR1 (0.62) TACR1KCNH2

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 2 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

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 389/4885KCNH2 211/4885HTR2A 92/4885

“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.