SCHEMBL6888147

SCHEMBL6888147

OC[C@H]1CC[C@H](Nc2ncc(-c3ccccc3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 4/20 0.46
ADORA1 P30542 5/20 0.44
ADORA2A P29274 3/20 0.44
ADORA2B P29275 1/20 0.44
MAPK6 Q16659 1/20 0.44
DRD2 P14416 4/20 0.44
DRD3 P35462 3/20 0.44
PIM1 P11309 2/20 0.43
HDAC1 Q13547 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
AXL P30530 1/20 0.42
TYRO3 Q06418 1/20 0.42
ACHE P22303 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6886667 0.83 ADORA1 (0.60) MERTKADORA1ADORA2AADORA2BAXL
SCHEMBL6884017 0.83 ADORA1 (0.60) MERTKADORA1ADORA2AADORA2BAXL
SCHEMBL1642532 0.82 ACACB (0.49) MAPK6DRD2DRD3
SCHEMBL1642534 0.82 ACACB (0.49) MAPK6DRD2DRD3
SCHEMBL6886534 0.81 KDM4E (0.56) MERTKADORA1ADORA2AADORA2BHDAC1
SCHEMBL6885645 0.80 GRM5 (0.48) MERTKADORA1ADORA2AADORA2BHDAC1
SCHEMBL13062703 0.80 HDAC1 (0.56) ADORA1ADORA2AADORA2BHDAC1MAPT
SCHEMBL6887143 0.80 KDM4E (0.59) MERTKADORA1HDAC1AXLTYRO3
Hydrochloric Acid SCHEMBL3776468 0.79 HDAC1 (0.55) ADORA1ADORA2AADORA2BHDAC1MAPT
SCHEMBL6886647 0.78 ADORA1 (0.51) MERTKADORA1ADORA2AADORA2BAXL

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-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 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-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 MERTK 1646/4885ADORA1 161/4885ADORA2A 175/4885

“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.