SCHEMBL4234258

SCHEMBL4234258

NC(=O)C1C[C]CCN1c1cccc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.42
HTR3B O95264 3/20 0.42
HTR3A P46098 3/20 0.42
HTR3D Q70Z44 3/20 0.42
HTR3C Q8WXA8 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 2/20 0.36
MGLL Q99685 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CHRM4 P08173 2/20 0.31

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
SCHEMBL2888907 0.79 ALDH1A1 (0.40) MEN1KMT2ACYP2D6TSHRALDH1A1
SCHEMBL12804973 0.73 RARB (0.48)
SCHEMBL1674952 0.71 MAPT (0.33) CYP2D6TSHRALDH1A1L3MBTL1
SCHEMBL21723551 0.70 KMT2A (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21723552 0.70 KMT2A (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2687256 0.70 PIM1 (0.40)
SCHEMBL26523562 0.68 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20202159 0.68 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28552581 0.67 ADORA2A (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2638702 0.63 ELANE (0.49) ALOX15TSHRKDM4EELANEMAT2A

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-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
EP-1841768-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2007-10-10 EP disclosed
WO-2006074925-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-07-20 WO 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 HTR3E 49/4885HTR3B 14/4885HTR3A 6/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 HTR3E 294/4885HTR3B 207/4885HTR3A 115/4885

“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.