SCHEMBL3967341

SCHEMBL3967341

Clc1cc(Cl)cc(CC2CC[N]CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
CCR3 P51677 2/20 0.34
IDO1 P14902 2/20 0.33
TSHR P16473 1/20 0.32
SPR P35270 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
F2 P00734 1/20 0.31
TRPA1 O75762 1/20 0.31
EPHX1 P07099 1/20 0.30
CYP19A1 P11511 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
SCHEMBL2199688 0.82 ALDH1A1 (0.54) ALDH1A1L3MBTL1KDM4EGLAGAA
SCHEMBL4473714 0.79 GRN (0.40) ALDH1A1L3MBTL1KDM4EGLAGAA
SCHEMBL8634508 0.78 ALDH1A1 (0.36) ALDH1A1L3MBTL1KDM4EGLAGAA
SCHEMBL8631916 0.76 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4EGLAGAA
SCHEMBL3967343 0.76 GBA1 (0.55) ALDH1A1L3MBTL1KDM4EGLAGAA
SCHEMBL17969012 0.76 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4EGLAGAA
SCHEMBL3967183 0.76 MAOA (0.35) ALDH1A1KDM4EEPHX1
SCHEMBL3966653 0.76 FPR2 (0.46) CCR3IDO1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL22265307 0.74 GBA1 (0.53) ALDH1A1L3MBTL1KDM4EGLAGAA
SCHEMBL2301471 0.72 CNR1 (0.47) ALDH1A1HTT

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-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R ALDH1A1 1731/4885L3MBTL1 2903/4885KDM4E 2981/4885

“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.