SCHEMBL21301982

SCHEMBL21301982

COc1cccc(Cn2c(C(F)(F)F)cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)cccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
SLC2A1 P11166 1/20 0.44
MAPT P10636 4/20 0.42
MC4R P32245 2/20 0.41
ROCK2 O75116 1/20 0.40
EPHX2 P34913 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MET P08581 1/20 0.40
LMNA P02545 1/20 0.40
PLA2G2A P14555 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL21302004 0.90 CHRM2 (0.44) SLC2A1MET
SCHEMBL31066767 0.89 MAPK1 (0.47) MAPTSMN1; SMN2TP53NPSR1
SCHEMBL21301981 0.89 MAPK1 (0.47) MAPTSMN1; SMN2TP53NPSR1
SCHEMBL21301993 0.87 S1PR3 (0.39) SMN1; SMN2METTP53NPSR1
SCHEMBL31066766 0.87 S1PR3 (0.39) SMN1; SMN2METTP53NPSR1
SCHEMBL21291613 0.85 ALDH1A1 (0.45) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL30516358 0.85 ALDH1A1 (0.45) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL21301991 0.84 PARP1 (0.42) MAPTSMN1; SMN2NPSR1
SCHEMBL21302005 0.84 TP53 (0.39) METLMNAALDH1A1TP53
SCHEMBL21291622 0.82 HTR6 (0.49) LMNAALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3755688-B1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT2A AND 5-HT6 RECEPTOR ANTAGONISTS ADAMED PHARMA S A (PL) 2023-06-14 EP disclosed
EP-3755688-B1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT2A AND 5-HT6 RECEPTOR ANTAGONISTS ADAMED PHARMA S A (PL) 2023-06-14 EP disclosed
US-20210276995-A1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT2A AND 5-HT6 RECEPTOR ANTAGONISTS ADAMED PHARMA S.A. (PL) 2021-09-09 US disclosed
US-11034688-B2 Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists ADAMED PHARMA S.A. (PL) 2021-06-15 US disclosed
US-11034688-B2 Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists ADAMED PHARMA S.A. (PL) 2021-06-15 US disclosed
US-20200377496-A1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT2A and 5-HT6 RECEPTOR ANTAGONISTS ACADIA PHARMACEUTICALS INC. 2020-12-03 US disclosed
US-20200377496-A1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT2A and 5-HT6 RECEPTOR ANTAGONISTS ACADIA PHARMACEUTICALS INC. 2020-12-03 US disclosed
WO-2019162306-A1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT2A AND 5-HT6 RECEPTOR ANTAGONISTS ADAMED PHARMA S.A. (PL) 2019-08-29 WO disclosed
EP-3530651-A1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT2A AND 5-HT6 RECEPTOR ANTAGONISTS Adamed sp. z o.o. (PL) 2019-08-28 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-11034688-B2 Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists HTR2A, HTR6, HTR2C KDM4E 1520/4885SLC2A1 1924/4885MAPT 338/4885
US-20200377496-A1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT2A and 5-HT6 RECEPTOR ANTAGONISTS HTR2A, HTR6, HTR2C KDM4E 1520/4885SLC2A1 1924/4885MAPT 338/4885
US-20210276995-A1 INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT2A AND 5-HT6 RECEPTOR ANTAGONISTS HTR2A, HTR2C, HTR6 KDM4E 1575/4885SLC2A1 2075/4885MAPT 228/4885

“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.