SCHEMBL3964348

SCHEMBL3964348

Fc1ccc(F)c(CN2CC[N]CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 2/20 0.45
CYP2D6 P10635 1/20 0.41
RORC P51449 4/20 0.41
SIGMAR1 Q99720 1/20 0.40
CYP2A13 Q16696 1/20 0.40
PDE2A O00408 1/20 0.40
GPR6 P46095 2/20 0.39
RIPK1 Q13546 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3962616 0.86 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1CYP2D6SIGMAR1
SCHEMBL6796135 0.84 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1SIGMAR1CYP2A13
SCHEMBL30596583 0.82 KDM4E (0.74) KDM4ESMN1; SMN2ALDH1A1CYP2A13PDE2A
SCHEMBL21794075 0.82 KDM4E (0.74) KDM4ESMN1; SMN2ALDH1A1CYP2A13PDE2A
SCHEMBL4131494 0.80 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1CYP2A13GPR6
SCHEMBL3356063 0.80 GALR3 (0.52) KDM4ESMN1; SMN2ALDH1A1CYP2D6SIGMAR1
SCHEMBL13006258 0.79 MPO (0.58) KDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL18712999 0.79 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1CYP2D6SIGMAR1
SCHEMBL2922854 0.79 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1SIGMAR1
SCHEMBL916891 0.79 ALDH1A1 (0.68) KDM4EALDH1A1CYP2D6SIGMAR1CYP2A13

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 KDM4E 2981/4885SMN1; SMN2 4143/4885ALDH1A1 1731/4885

“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.