SCHEMBL20449121

SCHEMBL20449121

FC(F)(F)CN1CCN[C@H](c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
PRCP P42785 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GSK3B P49841 2/20 0.35
RPS6KB1 P23443 1/20 0.34
NR1H2 P55055 6/20 0.34
NR1H3 Q13133 6/20 0.34
SIGMAR1 Q99720 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SCN5A Q14524 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33

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
SCHEMBL20449122 1.00 KDM1A (0.43) KDM1APRCPPDE10AKDM4EALDH1A1
SCHEMBL31449823 0.80 GSK3B (0.39) KDM1AGSK3BNR1H2NR1H3
SCHEMBL7013419 0.80 GSK3B (0.42) PDE10AGSK3BSIGMAR1TMEM97
SCHEMBL3277741 0.78 SIGMAR1 (0.54) ALDH1A1SIGMAR1
SCHEMBL3272931 0.78 SIGMAR1 (0.54) ALDH1A1SIGMAR1
SCHEMBL3272922 0.78 SIGMAR1 (0.54) ALDH1A1SIGMAR1
SCHEMBL6698689 0.77 TACR1 (0.55)
SCHEMBL31270059 0.77 XIAP (0.41) KDM4EALDH1A1
SCHEMBL30109108 0.77 XIAP (0.41) KDM4EALDH1A1
SCHEMBL7014512 0.77 SLC18A3 (0.51) KDM1AALDH1A1GSK3BRPS6KB1SIGMAR1

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
CN-108290881-B Therapeutic compounds and methods of use thereof 健泰科生物技术公司 2021-12-07 CN disclosed
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-11 US disclosed
EP-3356360-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2018-08-08 EP disclosed
CN-108290881-A Therapeutic compounds and methods of use thereof 健泰科生物技术公司 2018-07-17 CN 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 (3 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-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB KDM1A 2269/4885PRCP 1092/4885PDE10A 488/4885
US-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB KDM1A 2269/4885PRCP 1092/4885PDE10A 488/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB KDM1A 2269/4885PRCP 1092/4885PDE10A 488/4885

“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.