SCHEMBL6483441

SCHEMBL6483441

CC(NC(=O)[C@]1(c2ccccc2)CC[C@@H](N2CCC(C)(O)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.77
KCNH2 Q12809 15/20 0.56
OPRL1 P41146 1/20 0.48

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
SCHEMBL6483835 1.00 TACR1 (0.77) TACR1KCNH2OPRL1
SCHEMBL6484875 0.94 TACR1 (0.75) TACR1KCNH2OPRL1
SCHEMBL6484883 0.94 TACR1 (0.75) TACR1KCNH2OPRL1
SCHEMBL6498993 0.91 TACR1 (0.72) TACR1KCNH2OPRL1
SCHEMBL6491543 0.91 TACR1 (0.77) TACR1KCNH2
SCHEMBL7178630 0.91 TACR1 (0.79) TACR1KCNH2
SCHEMBL6491549 0.91 TACR1 (0.77) TACR1KCNH2
SCHEMBL6483435 0.91 TACR1 (0.79) TACR1KCNH2
SCHEMBL6485381 0.91 TACR1 (0.79) TACR1KCNH2
SCHEMBL6494748 0.90 TACR1 (0.75) 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 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-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 US disclosed
US-20030225059-A1 Cyclohexyl derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-04 US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 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-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR TACR1 1180/4885KCNH2 2908/4885OPRL1 281/4885
US-20030225059-A1 Cyclohexyl derivatives and their use as therapeutic agents CNR2, CNR1, HRH2 TACR1 389/4885KCNH2 211/4885OPRL1 21/4885

“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.