SCHEMBL21802201

SCHEMBL21802201

CCOC(=O)CCCC=Cc1c(Br)c(COc2ccc(N3CCN(C(=O)O)CC3)cc2)nn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
GAA P10253 5/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35
ME3 Q16798 1/20 0.35
ATM Q13315 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL21802200 1.00 MAPT (0.37) MAPTGAALMNAKDM4EME2
SCHEMBL19635255 0.90 LMNA (0.39) MAPTGAALMNAKDM4EALDH1A1
SCHEMBL28656087 0.90 LMNA (0.39) MAPTGAALMNAKDM4EALDH1A1
SCHEMBL24378052 0.88 MAPT (0.35) MAPTGAALMNAKDM4EME2
SCHEMBL19615217 0.78 ESRRB (0.45) MAPTLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL19635389 0.76 ESRRG (0.38) MAPTGAALMNAKDM4EME2
SCHEMBL21802247 0.75 MAPT (0.44) MAPTGAALMNAKDM4EME2
SCHEMBL21802216 0.72 MAPT (0.43) MAPTGAALMNAKDM4EMAPK1
SCHEMBL23251241 0.70 SMN1; SMN2 (0.46) MAPTLMNAALDH1A1NPSR1TSHR
SCHEMBL19635767 0.68 SMN1; SMN2 (0.45) MAPTGAALMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 US 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-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 MAPT 2202/4885GAA 4215/4885LMNA 1055/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 MAPT 3026/4885GAA 4042/4885LMNA 933/4885

“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.