SCHEMBL1889706

SCHEMBL1889706

[CH2][C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHX1 P07099 1/20 0.42
UCHL1 P09936 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL446480 1.00 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPC1CHRM2CHRM1
SCHEMBL1891129 1.00 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPC1CHRM2CHRM1
SCHEMBL28150230 0.95 HSD17B10 (0.47) HSD17B10SMN1; SMN2NPC1CHRM2CHRM1
SCHEMBL22653971 0.89 CHRM2 (0.47) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL27443090 0.89 CHRM2 (0.47) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL559852 0.80 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1CHRM2CHRM1
SCHEMBL1010839 0.80 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1CHRM2CHRM1
SCHEMBL1550543 0.80 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1CHRM2CHRM1
SCHEMBL1115598 0.80 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1CHRM2CHRM1
SCHEMBL357043 0.80 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1CHRM2CHRM1

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
CN-101535299-B 5-lipoxygenase-activating protein (flap) inhibitors PANMIRA PHARMACEUTICALS LLC 2013-09-25 CN disclosed
US-8173659-B2 Substituted pyrazolo[4,3-C]pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-05-08 US disclosed
US-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-22 US disclosed
US-7947686-B2 Substituted pyrazolo[4,3-c]pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-24 US disclosed
CN-101535299-A 5-lipoxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS INC (US) 2009-09-16 CN disclosed
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-22 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 (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-20110230470-A1 SUBSTITUTED PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K3, MAP3K1, MAP3K19 HSD17B10 4006/4885SMN1; SMN2 3711/4885NPC1 3499/4885
US-20090023745-A1 Substituted Pyrazolo[4,3-c]Pyridine Derivatives Active as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K19 HSD17B10 4006/4885SMN1; SMN2 3711/4885NPC1 3499/4885

“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.