SCHEMBL3965653

SCHEMBL3965653

Fc1cccc(CN2CC[N]CC2)c1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
GAA P10253 1/20 0.50
CYP2A13 Q16696 1/20 0.47
AR P10275 1/20 0.46
POLB P06746 3/20 0.45
RORC P51449 5/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 4/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
TSHR P16473 1/20 0.38
MPO P05164 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
SCHEMBL916891 0.86 ALDH1A1 (0.68) ALDH1A1CYP2A13POLBKMT2AATM
SCHEMBL6803849 0.84 ALDH1A1 (0.70) ALDH1A1GAACYP2A13ARPOLB
SCHEMBL30341108 0.82 ALDH1A1 (0.73) ALDH1A1GAACYP2A13ARPOLB
SCHEMBL2096803 0.80 ALDH1A1 (0.70) ALDH1A1CYP2A13POLBKMT2AATM
SCHEMBL2925434 0.79 LMNA (0.54) ALDH1A1GAACYP2A13ARPOLB
SCHEMBL6384809 0.79 ALDH1A1 (0.50) ALDH1A1GAACYP2A13ARPOLB
SCHEMBL1111819 0.79 ADORA2A (0.45) ALDH1A1CYP2A13POLBKMT2AATM
SCHEMBL4574883 0.77 JAK2 (0.43) ALDH1A1GAACYP2A13ARPOLB
SCHEMBL6943859 0.77 ATM (0.49) ALDH1A1GAACYP2A13ARPOLB
SCHEMBL11938897 0.74 DRD2 (0.48) ALDH1A1GAACYP2A13ARPOLB

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 1731/4885GAA 4092/4885CYP2A13 274/4885

“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.