SCHEMBL6708489

SCHEMBL6708489

O=[C]OCc1cccnn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.41
CYP1A2 P05177 1/20 0.41
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
P2RX7 Q99572 1/20 0.34
VNN1 O95497 2/20 0.34
GABRA2 P47869 1/20 0.32
GOT1 P17174 1/20 0.31
CYP2C9 P11712 1/20 0.31
NAMPT P43490 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL444168 0.74 SMN1; SMN2 (0.49)
SCHEMBL3150298 0.74
SCHEMBL8691162 0.74
SCHEMBL28021265 0.73 CTDSP1 (0.41) CTDSP1CYP1A2GABRA1GABRG2GABRB3
SCHEMBL7310669 0.72 CYP1A2 (0.51) CTDSP1CYP1A2GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL27823343 0.72 CTDSP1 (0.41) CTDSP1CYP1A2GABRA1GABRG2GABRB3
SCHEMBL4272781 0.71 CTDSP1 (0.50) CTDSP1CYP1A2GABRA1GABRG2GABRB3
SCHEMBL19764921 0.70 CTDSP1 (0.43) CTDSP1CYP1A2GABRA1GABRG2GABRB3
SCHEMBL344825 0.70
SCHEMBL3076036 0.69 CYP1A2 (0.47) CTDSP1CYP1A2GABRA1GABRG2GABRB3

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-2540719-B1 CYCLIC AMINE COMPOUND AND ACARICIDE NIPPON SODA CO (JP) 2015-10-07 EP disclosed
US-8980912-B2 Cyclic amine compound and acaricide NIPPON SODA CO., LTD. (JP) 2015-03-17 US disclosed
EP-2540719-A1 CYCLIC AMINE COMPOUND AND MITICIDE Nippon Soda Co., Ltd. (JP) 2013-01-02 EP disclosed
US-20120309964-A1 CYCLIC AMINE COMPOUND AND ACARICIDE NIPPON SODA CO., LTD 2012-12-06 US disclosed
CN-102770430-A Cyclic amine compound and miticide NIPPON SODA CO 2012-11-07 CN disclosed
US-20040019068-A1 Novel remedies or preventives for angiostenosis NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2004-01-29 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-20120309964-A1 CYCLIC AMINE COMPOUND AND ACARICIDE CYCS, NAT10, CYC1 CTDSP1 1788/4885CYP1A2 265/4885GABRA1 4453/4885
US-20040019068-A1 Novel remedies or preventives for angiostenosis CMA1, ACE, AGTR1 CTDSP1 1075/4885CYP1A2 2460/4885GABRA1 4066/4885

“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.