SCHEMBL414890

SCHEMBL414890

CN1CCN(Cc2ccc(F)c(Br)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
CHKA P35790 6/20 0.55
FAAH O00519 2/20 0.54
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
MC4R P32245 1/20 0.50
HDAC6 Q9UBN7 1/20 0.47
CA2 P00918 1/20 0.46
NCF1 P14598 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
HTR6 P50406 1/20 0.44

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
SCHEMBL29468844 1.00 KDM4E (0.68) KDM4ECHKAFAAHLMNAALDH1A1
SCHEMBL29173652 0.87 CHKA (0.58) KDM4ECHKAFAAHLMNAALDH1A1
SCHEMBL12891510 0.85 ALDH1A1 (0.69) KDM4ECHKALMNAALDH1A1HTT
SCHEMBL29468778 0.83 KDM4E (0.58) KDM4ECHKAFAAHALDH1A1HTT
SCHEMBL29468773 0.83 KDM4E (0.55) KDM4ECHKAFAAHALDH1A1HTT
SCHEMBL10071720 0.82 CHKA (0.56) KDM4ECHKALMNAALDH1A1HTT
SCHEMBL29468730 0.82 KDM4E (0.53) KDM4ECHKAFAAHALDH1A1HTT
SCHEMBL2376586 0.81 KDM4E (0.68) KDM4EFAAHLMNAALDH1A1HTT
SCHEMBL5503947 0.80 LMNA (0.47) KDM4ECHKALMNAALDH1A1HTT
SCHEMBL1631404 0.80 CHRM3 (0.64) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448921-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-05-09 EP disclosed
US-20120022078-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-01-26 US disclosed
WO-2010117085-A1 ARYL INDOLE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-14 WO 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-20120022078-A1 ARYL INDOLE DERIVATIVES IDO1, NAT1, IDO2 KDM4E 4044/4885CHKA 2500/4885FAAH 1227/4885

“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.