SCHEMBL1908694

SCHEMBL1908694

CN1CC[C@@H](NC(=O)NCCc2ccc(C(=O)O)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.50
EPHX2 P34913 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATM Q13315 1/20 0.45
SLC6A5 Q9Y345 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SSTR1 P30872 1/20 0.43
SSTR4 P31391 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MC4R P32245 4/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
MCHR1 Q99705 1/20 0.41

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) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL10212124 0.82 NPC1 (0.68) EPHX1EPHX2NPC1TP53TSHR
SCHEMBL14263082 0.81 EPHX1 (0.71) EPHX1EPHX2NPC1TP53TSHR
SCHEMBL14263117 0.80 EPHX1 (0.55) EPHX1EPHX2NPC1TP53TSHR
SCHEMBL4981608 0.77 SMN1; SMN2 (0.57) EPHX1EPHX2NPC1TP53TSHR
SCHEMBL4975754 0.77 EPHX1 (0.53) EPHX1EPHX2NPC1TP53TSHR
SCHEMBL13700890 0.77 EPHX1 (0.57) EPHX1EPHX2MEN1KMT2A
SCHEMBL14026516 0.77 EPHX1 (0.57) EPHX1EPHX2MEN1KMT2A
SCHEMBL1912316 0.77 EPHX1 (0.57) EPHX1EPHX2MEN1KMT2A
SCHEMBL1908724 0.76 SMN1; SMN2 (0.50) EPHX1EPHX2NPC1RAB9ASMN1; SMN2

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 EPHX1 1339/4885EPHX2 1266/4885NPC1 762/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 EPHX1 1066/4885EPHX2 1216/4885NPC1 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.