SCHEMBL2858768

SCHEMBL2858768

O[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.55
NPC1 O15118 1/20 0.49
MTOR P42345 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL2858162 1.00 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL2858767 1.00 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL2785002 1.00 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL8800656 1.00 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL699568 0.87 CHRNA7 (0.49) TACR1NPC1MTORRAB9A
SCHEMBL8800779 0.87 TACR1 (0.51) TACR1
SCHEMBL14364969 0.79 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL14364850 0.79 TACR1 (0.55) TACR1
SCHEMBL9185372 0.79 TACR1 (0.55) TACR1NPC1MTORRAB9A
SCHEMBL6135412 0.79 TACR1 (0.55) TACR1NPC1MTORRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687630-B2 Method for producing optically active quinuclidinols having one or more substituted groups at the 2-position KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-03-30 US disclosed
US-20080081911-A1 Method for producing optically active quinuclidinols having one or more substituted groups at the 2-position KANTO KAGAKU KABUSHIKI KAISHA (JP) 2008-04-03 US disclosed
EP-0499313-B1 Azabicyclic compounds, pharmaceutical compositions containing them and their use in therapy MERCK SHARP & DOHME (GB) 1997-06-11 EP disclosed
US-5242930-A AZABICYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. 1993-09-07 US disclosed
EP-0499313-A1 Azabicyclic compounds, pharmaceutical compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-08-19 EP 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-20080081911-A1 Method for producing optically active quinuclidinols having one or more substituted groups at the 2-position NQO1, SQLE, NQO2 TACR1 2370/4885NPC1 2003/4885MTOR 4412/4885

“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.