SCHEMBL1908731

SCHEMBL1908731

CN1CC[C@@H](NC(=O)NC2CCN(c3ccc(C(=O)O)cn3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
USP30 Q70CQ3 10/20 0.47
HPGDS O60760 3/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
TRPV1 Q8NER1 2/20 0.43
KMT2A Q03164 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43

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
SCHEMBL13449703 0.91 HRH3 (0.47) HRH3USP30HPGDSNPC1ALDH1A1
SCHEMBL1908716 0.85 USP30 (0.54) HRH3USP30HPGDSNPC1ALDH1A1
SCHEMBL3311625 0.83 CKS1B (0.57) HRH3USP30HPGDSNPC1ALDH1A1
SCHEMBL359214 0.80 CA12 (0.55) USP30ALDH1A1LMNACA12CA1
SCHEMBL12015977 0.80 CA12 (0.55) USP30ALDH1A1LMNACA12CA1
SCHEMBL357880 0.79 USP30 (0.72) USP30HPGDSALDH1A1MAPT
SCHEMBL6139645 0.77 CKS1B (0.61) HRH3USP30HPGDSNPC1RAB9A
SCHEMBL16048031 0.76 CKS1B (0.60) HRH3USP30HPGDSNPC1RAB9A
SCHEMBL4252011 0.76 RAB9A (0.61) HRH3NPC1ALDH1A1LMNAMAPT
SCHEMBL1329870 0.76 RAB9A (0.58) HRH3NPC1ALDH1A1LMNARAB9A

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 12 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
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 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
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 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 (4 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 HRH3 186/4885USP30 3834/4885HPGDS 1420/4885
US-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 HRH3 628/4885USP30 4624/4885HPGDS 2598/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 HRH3 778/4885USP30 3841/4885HPGDS 3773/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 HRH3 318/4885USP30 4498/4885HPGDS 1713/4885

“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.