SCHEMBL21802247

SCHEMBL21802247

Cn1nc(COc2ccc(N3CCN(C(=O)O)CC3)cc2)c(Br)c1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 3/20 0.43
ME2 P23368 2/20 0.42
ME1 P48163 2/20 0.42
ME3 Q16798 2/20 0.42
GAA P10253 4/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ENPP2 Q13822 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
RGS12 O14924 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL19635047 0.87 SMN1; SMN2 (0.47) MAPTNPSR1LMNATSHRSMN1; SMN2
SCHEMBL19635460 0.85 MRGPRX4 (0.42) MAPTMAPK1GAALMNASMN1; SMN2
SCHEMBL19615270 0.84 MEN1 (0.45) MAPTNPSR1MAPK1GAATSHR
SCHEMBL19635391 0.84 MAPT (0.34) MAPTNPSR1MAPK1ME2ME1
SCHEMBL19615367 0.82 MEN1 (0.44) MAPTMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL28647264 0.78 NR1H2 (0.39) LMNASMN1; SMN2NPC1
SCHEMBL19615129 0.78 NPC1 (0.38) MAPTSMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL21802216 0.78 MAPT (0.43) MAPTNPSR1MAPK1GAALMNA
SCHEMBL21802201 0.75 MAPT (0.37) MAPTNPSR1MAPK1ME2ME1
SCHEMBL21802200 0.75 MAPT (0.37) MAPTNPSR1MAPK1ME2ME1

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 2202/4885NPSR1 1251/4885MAPK1 2106/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 MAPT 3026/4885NPSR1 1217/4885MAPK1 2608/4885

“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.