SCHEMBL1908724

SCHEMBL1908724

COC(=O)c1ccc(CNC(=O)N[C@@H]2CCN(C)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 2/20 0.50
MCHR1 Q99705 5/20 0.47
HRH3 Q9Y5N1 1/20 0.47
EPHX2 P34913 3/20 0.47
DRD4 P21917 1/20 0.47
EPHX1 P07099 3/20 0.47
HPGD P15428 1/20 0.47
NAMPT P43490 1/20 0.45
SSTR1 P30872 1/20 0.45
SSTR4 P31391 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 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
SCHEMBL1908695 0.88 DRD4 (0.52) SMN1; SMN2RAB9ANPC1MCHR1HRH3
SCHEMBL1908665 0.85 F2 (0.49) SMN1; SMN2RAB9ADRD4EPHX1HPGD
SCHEMBL13242298 0.84 DRD4 (0.66) SMN1; SMN2RAB9AMCHR1EPHX2DRD4
SCHEMBL4012079 0.83 EPHX2 (0.56) SMN1; SMN2RAB9ANPC1MCHR1HRH3
SCHEMBL358475 0.81 NAMPT (0.64) SMN1; SMN2RAB9ADRD4EPHX1HPGD
SCHEMBL4214296 0.80 CHKA (0.50) SMN1; SMN2EPHX2DRD4HPGDALDH1A1
SCHEMBL1912275 0.80 EPHX2 (0.56) SMN1; SMN2NPC1EPHX2EPHX1HPGD
SCHEMBL13700889 0.80 EPHX2 (0.56) SMN1; SMN2NPC1EPHX2EPHX1HPGD
SCHEMBL14026514 0.80 EPHX2 (0.56) SMN1; SMN2NPC1EPHX2EPHX1HPGD
SCHEMBL12084206 0.80 EPHX2 (0.56) SMN1; SMN2NPC1EPHX2EPHX1HPGD

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 SMN1; SMN2 3129/4885RAB9A 2373/4885NPC1 762/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 SMN1; SMN2 3845/4885RAB9A 2513/4885NPC1 959/4885

“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.