SCHEMBL4876645

SCHEMBL4876645

CN1CCC(Sc2c(F)cc3[nH]c(=O)ccc3c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.38
ALK Q9UM73 2/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
APP P05067 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
WNT1 P04628 1/20 0.32
DYRK1A Q13627 1/20 0.32
PARP14 Q460N5 1/20 0.32
AR P10275 1/20 0.32
TSHR P16473 1/20 0.32
PLG P00747 1/20 0.32

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
SCHEMBL4869781 0.80 HTR1F (0.41) HTR1FPARP1TNKS2DRD2DRD4
SCHEMBL4873755 0.79 HTR1F (0.38) HTR1FALKDRD2DRD4DRD3
SCHEMBL4873979 0.71 MEN1 (0.46) HTR1FHRH4
SCHEMBL9174511 0.67 LMNA (0.42) HRH4TSHR
SCHEMBL25904476 0.65 ENPP1 (0.36) ALKAR
SCHEMBL25911711 0.64 KDM4E (0.42) TNKSTNKS2AR
SCHEMBL5634821 0.64 HTR3A (0.35)
SCHEMBL14573435 0.64 HTR3A (0.35)
SCHEMBL14573434 0.63 CYP2D6 (0.32) DRD3TSHR
SCHEMBL5636939 0.63 CYP2D6 (0.32) DRD3TSHR

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-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 HTR1F 821/4885ALK 1177/4885TNKS 4255/4885

“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.