SCHEMBL1913129

SCHEMBL1913129

CN1CC[C@@H](NC(=O)Nc2cc(Cl)nc(Cl)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.51
EPHX2 P34913 5/20 0.48
USP30 Q70CQ3 1/20 0.45
MAPK1 P28482 3/20 0.45
MAPK8 P45983 2/20 0.44
MAPK10 P53779 2/20 0.44
MAPK9 P45984 1/20 0.44
CCNC P24863 2/20 0.44
CDK8 P49336 2/20 0.44
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
WNT1 P04628 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42

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
SCHEMBL14385304 0.85 MAPK1 (0.45) EPHX2USP30MAPK1MAPK8MAPK10
SCHEMBL14433795 0.79 S1PR2 (0.62) S1PR2EPHX2NPC1TSHRHTT
SCHEMBL10563030 0.79 S1PR2 (0.62) S1PR2EPHX2NPC1TSHRHTT
SCHEMBL1908655 0.78 EPHX1 (0.61) EPHX2USP30MAPK1
SCHEMBL1911246 0.78 HSD17B10 (0.51) EPHX2CCNCCDK8NPC1SMN1; SMN2
SCHEMBL356730 0.78 CTSL (0.65) EPHX2USP30TSHRRAB9ASMN1; SMN2
SCHEMBL10558257 0.77 EPHX1 (0.63) S1PR2EPHX2NPC1TSHRHTT
SCHEMBL3269273 0.77 SMN1; SMN2 (0.53) SMN1; SMN2
SCHEMBL1911231 0.77 EPHX2 (0.62) EPHX2USP30NPC1RAB9A
SCHEMBL24381758 0.76 MEN1 (0.67) EPHX2USP30NPC1RAB9A

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-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 US disclosed
US-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 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-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 S1PR2 67/4885EPHX2 1132/4885USP30 4533/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 S1PR2 1328/4885EPHX2 2731/4885USP30 3965/4885

“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.