SCHEMBL3125832

SCHEMBL3125832

Fc1ccc(CN2CC[N]CC2)cc1F

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
HTT P42858 1/20 0.69
DRD3 P35462 2/20 0.49
DRD2 P14416 1/20 0.49
KDM4E B2RXH2 2/20 0.47
SIGMAR1 Q99720 7/20 0.46
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DRD4 P21917 5/20 0.44
TMEM97 Q5BJF2 2/20 0.44
CHKA P35790 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4101414 0.83 ALDH1A1 (0.89) ALDH1A1HTTKDM4ESIGMAR1DPP4
SCHEMBL28192273 0.83 ALDH1A1 (0.96) ALDH1A1HTTKDM4ESIGMAR1DPP4
SCHEMBL13293320 0.81 ALDH1A1 (1.00) ALDH1A1HTTKDM4ESIGMAR1DPP4
Hydrochloric Acid SCHEMBL7401709 0.80 ALDH1A1 (0.96) ALDH1A1HTTKDM4ESIGMAR1DPP4
SCHEMBL4033896 0.80 ALDH1A1 (0.71) ALDH1A1HTTDRD3DRD2KDM4E
SCHEMBL16226262 0.80 ALDH1A1 (0.71) ALDH1A1HTTDRD3DRD2KDM4E
SCHEMBL2098314 0.79 KDM4E (0.56) KDM4E
SCHEMBL2921989 0.79 ALDH1A1 (0.69) ALDH1A1HTTKDM4ESIGMAR1DPP4
SCHEMBL12891510 0.79 ALDH1A1 (0.69) ALDH1A1HTTKDM4ECHKA
SCHEMBL29756449 0.79 ALDH1A1 (0.69) ALDH1A1HTTKDM4ESIGMAR1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
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 1731/4885HTT 4558/4885DRD3 169/4885

“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.