SCHEMBL6482534

SCHEMBL6482534

CC(=O)OC(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@]1(c2ccccc2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.64
KCNH2 Q12809 3/20 0.56
CCR2 P41597 2/20 0.52
SLC6A4 P31645 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
SCHEMBL6482612 1.00 TACR1 (0.64) TACR1KCNH2CCR2SLC6A4
SCHEMBL6482609 1.00 TACR1 (0.64) TACR1KCNH2CCR2SLC6A4
SCHEMBL6481945 0.85 TACR1 (0.70) TACR1KCNH2CCR2SLC6A4
SCHEMBL6484645 0.85 TACR1 (0.70) TACR1KCNH2CCR2SLC6A4
SCHEMBL6483282 0.82 TACR1 (0.75) TACR1KCNH2SLC6A4
SCHEMBL6483288 0.82 TACR1 (0.75) TACR1KCNH2SLC6A4
SCHEMBL6482108 0.81 TACR1 (0.74) TACR1KCNH2CCR2SLC6A4
SCHEMBL6482100 0.81 TACR1 (0.74) TACR1KCNH2CCR2SLC6A4
SCHEMBL7172737 0.80 TACR1 (0.71) TACR1KCNH2CCR2SLC6A4
SCHEMBL6483584 0.80 TACR1 (0.68) TACR1KCNH2CCR2SLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE TACR1 1363/4885KCNH2 595/4885CCR2 2810/4885

“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.