SCHEMBL18930744

SCHEMBL18930744

N#Cc1ccc(C[C@@H](N)CN2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
DPP4 P27487 4/20 0.45
HRH3 Q9Y5N1 3/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
KCNH2 Q12809 2/20 0.43
CYP2D6 P10635 1/20 0.43
KCNJ1 P48048 1/20 0.43
FAP Q12884 2/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
PKM P14618 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CTSC P53634 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
AR P10275 1/20 0.39
LOXL2 Q9Y4K0 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
Hydrochloric Acid SCHEMBL21144787 0.99 KDM4E (0.49) KDM4EALDH1A1DPP4HRH3HRH2
Hydrochloric Acid SCHEMBL21144789 0.99 KDM4E (0.49) KDM4EALDH1A1DPP4HRH3HRH2
SCHEMBL18930455 0.87 DPP4 (0.48) DPP4HRH3HRH2HRH1KCNH2
SCHEMBL21170171 0.86 HRH3 (0.49) KDM4EALDH1A1DPP4HRH3HRH2
Hydrochloric Acid SCHEMBL21144824 0.85 DPP4 (0.47) DPP4HRH3HRH2HRH1KCNH2
Hydrochloric Acid SCHEMBL21144826 0.85 DPP4 (0.47) DPP4HRH3HRH2HRH1KCNH2
Hydrochloric Acid SCHEMBL18920504 0.85 HRH3 (0.48) KDM4EALDH1A1DPP4HRH3HRH2
SCHEMBL18930743 0.83 KCNJ1 (0.50) KDM4EDPP4HRH3KCNH2KCNJ1
Hydrochloric Acid SCHEMBL21144686 0.82 KCNH2 (0.49) KDM4EDPP4HRH3KCNH2KCNJ1
Hydrochloric Acid SCHEMBL21144684 0.82 KCNH2 (0.49) KDM4EDPP4HRH3KCNH2KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 US disclosed
WO-2017093272-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-08 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 (2 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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L KDM4E 407/4885ALDH1A1 1538/4885DPP4 3896/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L KDM4E 407/4885ALDH1A1 1538/4885DPP4 3896/4885

“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.