SCHEMBL4401487

SCHEMBL4401487

COc1cccnc1N1CCN(CC(N)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DRD2 P14416 4/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
MALT1 Q9UDY8 1/20 0.46
PKM P14618 1/20 0.46
HTR1A P08908 2/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
CFTR P13569 1/20 0.46
SLC2A1 P11166 1/20 0.45
SLC2A2 P11168 1/20 0.45
SLC2A3 P11169 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44

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
SCHEMBL3436405 0.83 TRPV1 (0.50) DRD4CFTRMEN1KMT2A
SCHEMBL27869443 0.82 CHIA (0.49) ALDH1A1SMN1; SMN2CFTRKDM4ECYP2C9
SCHEMBL3434282 0.81 GRIN2D (0.46) ALDH1A1SMN1; SMN2MALT1CFTRKDM4E
SCHEMBL4401491 0.80 DRD2 (0.56) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL4171472 0.79 KDM4E (0.65) ALDH1A1DRD2DRD4DRD3HTR1A
SCHEMBL3436525 0.79 P2RX7 (0.49) DRD4CFTRMEN1KMT2A
SCHEMBL7497109 0.77 DRD2 (0.59) ALDH1A1DRD2DRD4DRD3HTR1A
SCHEMBL4395581 0.77 HSD11B1 (0.62) ALDH1A1
SCHEMBL7241999 0.77 KDM4E (0.64) ALDH1A1DRD2DRD4HTR1AHTR2A
SCHEMBL3434300 0.77 P2RX7 (0.50) ALDH1A1SMN1; SMN2MALT1CFTRKDM4E

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
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ALDH1A1 706/4885SMN1; SMN2 3980/4885DRD2 3882/4885

“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.