SCHEMBL6497494

SCHEMBL6497494

OC[C@]1(c2ccccc2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.62
KCNH2 Q12809 1/20 0.49
SLC18A3 Q16572 1/20 0.46
ESRRG P62508 1/20 0.44

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
SCHEMBL6497500 1.00 TACR1 (0.62) TACR1KCNH2SLC18A3ESRRG
SCHEMBL6483767 0.88 TACR1 (0.62) TACR1KCNH2SLC18A3
SCHEMBL6483762 0.88 TACR1 (0.62) TACR1KCNH2SLC18A3
SCHEMBL5764289 0.81 TACR1 (0.54) TACR1KCNH2SLC18A3
SCHEMBL5764286 0.81 TACR1 (0.54) TACR1KCNH2SLC18A3
SCHEMBL5767429 0.81 TACR1 (0.64) TACR1KCNH2SLC18A3
SCHEMBL5767423 0.81 TACR1 (0.64) TACR1KCNH2SLC18A3
SCHEMBL6494230 0.81 TACR1 (0.64) TACR1KCNH2SLC18A3
SCHEMBL11871721 0.80 OPRL1 (0.56) TACR1SLC18A3
SCHEMBL11867355 0.80 OPRL1 (0.56) TACR1SLC18A3

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 211/4885SLC18A3 2823/4885

“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.