SCHEMBL4897580

SCHEMBL4897580

c1ccc2c3c(ccc2c1)OCCN3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2C P18825 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
ADRA2B P18089 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
BRD4 O60885 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL9327518 0.81 HSD17B10 (0.41) GAAL3MBTL1HSD17B10MAPTALDH1A1
SCHEMBL22744294 0.77 CYP19A1 (0.47) GAAL3MBTL1HSD17B10MAPTALDH1A1
SCHEMBL22743887 0.72 KDM4E (0.46) GAAL3MBTL1HSD17B10MAPTALDH1A1
SCHEMBL29910261 0.71 GRM5 (0.40) GAAHSD17B10MAPTALDH1A1CYP2A6
SCHEMBL6153900 0.71 GRM5 (0.40) GAAHSD17B10MAPTALDH1A1CYP2A6
SCHEMBL9588205 0.71 GRM5 (0.40) GAAHSD17B10MAPTALDH1A1ADRA2A
SCHEMBL30240788 0.70 SMN1; SMN2 (0.54) GAAHSD17B10MAPTALDH1A1KDM4E
SCHEMBL3071035 0.69 HSD17B10 (0.44) GAAHSD17B10MAPTALDH1A1KDM4E
SCHEMBL3073151 0.69 ITGB2 (0.46) GAAL3MBTL1HSD17B10MAPTALDH1A1
SCHEMBL6725176 0.69 CXCR4 (0.40) HSD17B10ALDH1A1ADRA2AADRA2CADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 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 (3 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-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 GAA 1938/4885L3MBTL1 3372/4885HSD17B10 313/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 GAA 3626/4885L3MBTL1 1629/4885HSD17B10 633/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 GAA 3500/4885L3MBTL1 3742/4885HSD17B10 516/4885

“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.