SCHEMBL2497466

SCHEMBL2497466

Cc1cn(CCCCCCl)c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK2 O00142 8/20 0.56
TK1 P04183 2/20 0.54
HPGD P15428 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPK1 P28482 1/20 0.50
TYMP P19971 1/20 0.50
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL591657 0.98 TK1 (0.56) TK2TK1HPGDMAPTCYP2C9
SCHEMBL2496425 0.93 HPGD (0.55) TK2TK1HPGDMAPTCYP2C9
SCHEMBL7124047 0.93 HPGD (0.55) TK2TK1HPGDMAPTCYP2C9
SCHEMBL15110503 0.86 TK2 (0.60) TK2TK1HPGDMAPTCYP2C9
SCHEMBL18226895 0.85 TK1 (0.65) TK2TK1HPGDMAPTCYP2C9
SCHEMBL6890252 0.85 TK1 (0.65) TK2TK1HPGDMAPTCYP2C9
SCHEMBL10337895 0.85 TK1 (0.65) TK2TK1HPGDMAPTCYP2C9
SCHEMBL6883307 0.85 TK1 (0.65) TK2TK1HPGDMAPTCYP2C9
SCHEMBL3465151 0.84 TK2 (0.56) TK2TK1HPGDMAPTCYP2C9
SCHEMBL26034750 0.84 TK2 (0.56) TK2TK1HPGDMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 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-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS NR3C2, DRD3, TACR1 TK2 4325/4885TK1 2812/4885HPGD 1651/4885
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 TK2 723/4885TK1 386/4885HPGD 1463/4885

“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.