SCHEMBL3964586

SCHEMBL3964586

Clc1cccc(Cl)c1CC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.53
SLC6A4 P31645 5/20 0.44
KDM1A O60341 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
CHRM1 P11229 2/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A3 Q01959 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
HTR3A P46098 1/20 0.39
KCNH2 Q12809 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3964711 0.80 SLC6A4 (0.51) GBA1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3161884 0.79 GBA1 (0.56) GBA1SLC6A4SLC6A2SLC6A3KMT2A
Hydrochloric Acid SCHEMBL18280044 0.78 GBA1 (0.55) GBA1SLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL5202491 0.77 GBA1 (0.53) GBA1SLC6A4CHRM1SLC6A2SLC6A3
SCHEMBL14409782 0.77 DRD2 (0.44) GLAHTTNPSR1HTR3ATAAR1
SCHEMBL13681483 0.77 GLA (0.41) GLAHTTNPSR1TAAR1KMT2A
SCHEMBL3964581 0.77 GLA (0.41) GLAHTTNPSR1TAAR1KMT2A
Hydrochloric Acid SCHEMBL7404020 0.76 GBA1 (0.52) GBA1SLC6A4CHRM1SLC6A2SLC6A3
SCHEMBL27978786 0.74 GLA (0.69) SLC6A4KDM1AGLAHTTNPSR1
SCHEMBL11606103 0.74 GBA1 (0.50) GBA1SLC6A4CHRM1SLC6A2SLC6A3

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 GBA1 2652/4885SLC6A4 2513/4885KDM1A 2414/4885

“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.