SCHEMBL3965846

SCHEMBL3965846

Fc1ccc(CC2CC[N]CC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 8/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
KDM4E B2RXH2 2/20 0.40
SLC6A4 P31645 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
TRPA1 O75762 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
SCHEMBL3970681 0.86 SLC6A4 (0.40) SLC6A4MAPK1HTR2AHTR2C
SCHEMBL24152364 0.84 KDM4E (0.47) GPR6IDO1AGXTKDM4ESLC6A4
SCHEMBL1322888 0.79 SLC6A4 (0.61) IDO1AGXTKDM4ESLC6A4SMN1; SMN2
SCHEMBL14223367 0.79 TRPA1 (0.41) GPR6IDO1AGXTKDM4ESLC6A4
SCHEMBL3965584 0.79 DRD2 (0.47) IDO1HTR2A
Hydrochloric Acid SCHEMBL4772849 0.78 SLC6A4 (0.60) IDO1AGXTSLC6A4MAPK1
SCHEMBL26144324 0.77 HTR2A (0.46) GPR6KDM4ESMN1; SMN2HTR2AHTR2C
SCHEMBL13503736 0.76 SLC6A4 (0.42) GPR6IDO1AGXTKDM4ESLC6A4
SCHEMBL3122107 0.76 IDO1 (0.49) IDO1AGXTKDM4ESLC6A4SMN1; SMN2
SCHEMBL21005949 0.75 IDO1 (0.43) IDO1AGXTKDM4ESLC6A4SMN1; SMN2

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 GPR6 526/4885IDO1 481/4885AGXT 698/4885

“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.