Sugi Predict

Sugi Predict / Compounds / SCHEMBL3164597

SCHEMBL3164597

SCHEMBL3164597

Cc1cc(F)ccc1[C@@H]1[C@@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC[C@@H]2CNC[C@H]21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 0.55
▸ KCNH2 Q12809 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ FPR1 P21462 1/20 0.38
▸ TACR3 P29371 1/20 0.38
▸ GPR183 P32249 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ GPR65 Q8IYL9 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38

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
SCHEMBL13528654 0.89 TACR1 (0.50) TACR1
SCHEMBL3172265 0.89 TACR1 (0.50) TACR1
SCHEMBL3179950 0.89 TACR1 (0.50) TACR1
SCHEMBL13528647 0.89 TACR1 (0.50) TACR1
SCHEMBL13528124 0.89 TACR1 (0.50) TACR1
SCHEMBL13953505 0.89 TACR1 (0.50) TACR1
SCHEMBL13528193 0.88 TACR1 (0.49) TACR1KCNH2NR3C1CYP3A4FPR1
SCHEMBL3174056 0.87 TACR1 (0.69) TACR1KCNH2NR3C1CYP3A4FPR1
SCHEMBL13528160 0.87 TACR1 (0.69) TACR1KCNH2NR3C1CYP3A4FPR1
SCHEMBL13528159 0.87 TACR1 (0.69) TACR1KCNH2NR3C1CYP3A4FPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652058-B2 Octahydropyrano[3,4-C]pyrrole tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-01-26 — — US disclosed
US-7652058-B2 Octahydropyrano[3,4-C]pyrrole tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-01-26 — — US disclosed
US-7652058-B2 Octahydropyrano[3,4-C]pyrrole tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-01-26 — — US disclosed
US-20090048248-A1 Octahydropyrano[3,4-C]Pyrrole Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-19 — — US disclosed
US-20090048248-A1 Octahydropyrano[3,4-C]Pyrrole Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-19 — — US disclosed
US-20090048248-A1 Octahydropyrano[3,4-C]Pyrrole Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-19 — — US disclosed
US-20080108689-A1 Octahydropyrano[3,4-C]Pyrrole Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-05-08 — — US disclosed
US-20080108689-A1 Octahydropyrano[3,4-C]Pyrrole Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-05-08 — — US disclosed
US-20080108689-A1 Octahydropyrano[3,4-C]Pyrrole Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-05-08 — — 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-20080108689-A1 Octahydropyrano[3,4-C]Pyrrole Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 TACR1 1/4885KCNH2 91/4885NR3C1 781/4885
US-20090048248-A1 Octahydropyrano[3,4-C]Pyrrole Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 TACR1 1/4885KCNH2 95/4885NR3C1 824/4885

“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.