SCHEMBL1908695

SCHEMBL1908695

CN1CC[C@@H](NC(=O)NCc2ccc(C(=O)O)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.52
MCHR1 Q99705 3/20 0.49
EPHX1 P07099 4/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.48
NAMPT P43490 1/20 0.47
SSTR1 P30872 1/20 0.47
SSTR4 P31391 1/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.46
EPHX2 P34913 2/20 0.46
KDM5A P29375 1/20 0.45
HRH3 Q9Y5N1 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 0.88 DRD4 (0.66) DRD4MCHR1EPHX1HPGDRAB9A
SCHEMBL1908724 0.88 SMN1; SMN2 (0.50) DRD4MCHR1EPHX1HPGDRAB9A
SCHEMBL1908694 0.88 EPHX1 (0.50) MCHR1EPHX1RAB9ASMN1; SMN2KMT2A
SCHEMBL1908665 0.87 F2 (0.49) DRD4EPHX1HPGDRAB9ASMN1; SMN2
SCHEMBL358475 0.84 NAMPT (0.64) DRD4EPHX1HPGDRAB9ASMN1; SMN2
SCHEMBL14263114 0.80 DRD4 (0.73) DRD4MCHR1EPHX1HPGDRAB9A
SCHEMBL4978994 0.79 SMN1; SMN2 (0.72) DRD4MCHR1EPHX1HPGDRAB9A
SCHEMBL5533747 0.79 DRD4 (0.50) DRD4RAB9AKMT2AMEN1HRH3
SCHEMBL1912316 0.79 EPHX1 (0.57) EPHX1KMT2AMEN1EPHX2KDM5A
SCHEMBL14026516 0.79 EPHX1 (0.57) EPHX1KMT2AMEN1EPHX2KDM5A

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 DRD4 397/4885MCHR1 227/4885EPHX1 1339/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 DRD4 853/4885MCHR1 402/4885EPHX1 1066/4885

“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.