SCHEMBL20449182

SCHEMBL20449182

N[C@H]1CCOc2cc(Br)c(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.45
KDM1B Q8NB78 5/20 0.45
KCNH2 Q12809 4/20 0.45
MAP3K14 Q99558 1/20 0.32
DPP4 P27487 3/20 0.31
PKM P14618 1/20 0.31
ADRA2A P08913 2/20 0.31

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
SCHEMBL31278567 0.86 MAP3K14 (0.35) KDM1AKDM1BKCNH2MAP3K14DPP4
Hydrochloric Acid SCHEMBL1162946 0.84 MAP3K14 (0.34) MAP3K14DPP4ADRA2A
SCHEMBL20449226 0.80 MAP3K14 (0.49) KDM1AKDM1BKCNH2MAP3K14PKM
SCHEMBL20449228 0.80 MAP3K14 (0.49) KDM1AKDM1BKCNH2MAP3K14PKM
SCHEMBL1239165 0.72 ADRA2A (0.50) KDM1AKDM1BMAP3K14ADRA2A
SCHEMBL12501511 0.72 ADRA2A (0.50) KDM1AKDM1BMAP3K14ADRA2A
SCHEMBL1239304 0.72 KDM1A (0.41) KDM1AKDM1BADRA2A
SCHEMBL1163088 0.72 ADRA2A (0.50) KDM1AKDM1BMAP3K14ADRA2A
SCHEMBL4142656 0.72 ADRA2A (0.50) KDM1AKDM1BDPP4ADRA2A
SCHEMBL1265663 0.72 KDM1A (0.41) KDM1AKDM1BADRA2A

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 5 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-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

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 2269/4885KDM1B 1545/4885KCNH2 765/4885
US-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB KDM1A 2269/4885KDM1B 1545/4885KCNH2 765/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB KDM1A 2269/4885KDM1B 1545/4885KCNH2 765/4885

“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.