SCHEMBL2931850

SCHEMBL2931850

O=C(O)N1CCC(N2CCC(c3ccccc3)C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
SLC18A3 Q16572 2/20 0.51
MAPT P10636 3/20 0.51
ATM Q13315 1/20 0.51
HPGD P15428 1/20 0.51
AGTR2 P50052 3/20 0.51
GRIN2B Q13224 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD11B1 P28845 1/20 0.47

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
SCHEMBL27786279 0.85 SLC18A3 (0.55) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL3184817 0.84 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL3183837 0.84 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL3183827 0.84 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL1531725 0.84 KCNH2 (0.59) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
Hydrogen Sulfide SCHEMBL27863722 0.82 KCNH2 (0.58) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL96155 0.82 NPC1 (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1SLC18A3
SCHEMBL3126667 0.82 GPR119 (0.54) SMN1; SMN2TP53POLBMAPTLMNA
SCHEMBL7477011 0.79 SLC18A3 (0.59) ALDH1A1POLBSLC18A3GRIN2BCYP2D6
SCHEMBL20473442 0.78 KDM4E (0.54) ALDH1A1SLC18A3GRIN2BCYP2D6CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP claimed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO claimed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US claimed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 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 (1 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-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R RAB9A 2338/4885NPC1 3498/4885SMN1; SMN2 2931/4885

“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.