SCHEMBL1908718

SCHEMBL1908718

CN1CC[C@@H](NC(=O)NCc2csc(-c3ccccc3)n2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.52
DRD4 P21917 3/20 0.52
DRD3 P35462 2/20 0.52
ACKR3 P25106 4/20 0.50
HTR2A P28223 1/20 0.50
HRH1 P35367 1/20 0.50
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MCHR1 Q99705 1/20 0.46
USP30 Q70CQ3 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
CHRNA7 P36544 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL13242298 0.81 DRD4 (0.66) DRD4HPGDRAB9AMCHR1
SCHEMBL14391516 0.79 HPGD (0.50) HPGDNPC1RAB9AALDH1A1
SCHEMBL357853 0.79 HPGD (0.50) HPGDNPC1RAB9AALDH1A1
SCHEMBL358475 0.75 NAMPT (0.64) DRD4HPGDRAB9AALDH1A1
SCHEMBL14263114 0.74 DRD4 (0.73) DRD4HPGDRAB9AMCHR1GAA
SCHEMBL1908695 0.74 DRD4 (0.52) DRD4HPGDNPC1RAB9AMCHR1
SCHEMBL359497 0.73 ALDH1A1 (0.51) DRD4ALDH1A1
SCHEMBL1908664 0.73 NAMPT (0.47)
SCHEMBL359825 0.73 KDM5A (0.44) DRD4
SCHEMBL357690 0.72 SSTR1 (0.53) DRD4HPGDRAB9AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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 (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 DRD2 216/4885DRD4 397/4885DRD3 265/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 DRD2 474/4885DRD4 853/4885DRD3 560/4885

“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.