SCHEMBL16495609

SCHEMBL16495609

CCC1CCN(CCNC(=O)c2ccc(-c3ccc(F)cc3)nc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.52
HTR2C P28335 3/20 0.49
MCHR1 Q99705 3/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
CHRM4 P08173 1/20 0.48
CCR3 P51677 1/20 0.48
SCN9A Q15858 1/20 0.47
HPGDS O60760 2/20 0.47
IKBKB O14920 1/20 0.47
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR4 Q13639 1/20 0.46

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
SCHEMBL16495798 0.90 SLC6A2 (0.58) CD274SLC6A2SLC6A4HPGDSIKBKB
SCHEMBL16495615 0.89 HPGDS (0.61) HTR2CMCHR1SLC6A2SLC6A4CHRM4
SCHEMBL16496153 0.86 ADRA2A (0.60) CD274HTR2CMCHR1SCN9AHPGDS
SCHEMBL16496105 0.85 ADRA2A (0.61) CD274HTR2CMCHR1SCN9AHPGDS
SCHEMBL16495965 0.83 RAD52 (0.53) SLC6A2SLC6A4HPGDSIKBKB
SCHEMBL16495622 0.80 MCHR1 (0.58) CD274HTR2CMCHR1CHRM4HPGDS
SCHEMBL1758383 0.80 SCN9A (0.69) CD274HTR2CMCHR1SCN9AADRA2A
SCHEMBL16495519 0.78 HPGDS (0.65) HTR2CMCHR1SLC6A2SLC6A4HPGDS
SCHEMBL16495401 0.78 GABRA5 (0.49) HTR2CMCHR1
SCHEMBL16496188 0.77 NPC1 (0.56) HTR2CMCHR1HPGDSADRA2AADRA2B

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-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 CD274 2948/4885HTR2C 3209/4885MCHR1 3398/4885

“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.