SCHEMBL3160508

SCHEMBL3160508

CN1CCN(C(=O)CCCOc2cc[c]cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.59
SMN1; SMN2 Q16637 8/20 0.59
NPC1 O15118 7/20 0.59
MAPT P10636 4/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 6/20 0.55
KMT2A Q03164 6/20 0.55
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 3/20 0.55
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.53
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 1/20 0.51
TSHR P16473 4/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 2/20 0.50

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
SCHEMBL3163742 0.87 HPGD (0.71) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL3174328 0.86 HPGD (0.74) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL3160687 0.84 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL182463 0.84 POLB (0.66) SMN1; SMN2GAAKMT2AALDH1A1MEN1
SCHEMBL3130524 0.83 USP2 (0.71) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL13681487 0.78 NPC1 (0.66) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL2182974 0.76 RAB9A (0.61) RAB9ANPC1HPGDALDH1A1CYP1A2
SCHEMBL15134810 0.76 SMN1; SMN2 (0.62) SMN1; SMN2NPC1MAPTGAAHPGD
SCHEMBL3119029 0.76 GAA (0.71) RAB9ASMN1; SMN2NPC1MAPTGAA
SCHEMBL2182739 0.76 HRH2 (0.54) SMN1; SMN2ALDH1A1KDM4E

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
CN-1809570-B [1,2,4] triazolo [1,5-a ] pyrimidin-2-ylurea derivatives and uses thereof NIPPON KAYAKU KK 2011-06-22 CN disclosed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
CN-1809570-A [1,2,4] triazolo [1, 5-a ] pyrimidin-2-ylurea derivatives and uses thereof NIPPON KAYAKU KK (JP) 2006-07-26 CN disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 RAB9A 1475/4885SMN1; SMN2 3178/4885NPC1 1668/4885

“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.