SCHEMBL5257142

SCHEMBL5257142

CCn1c(-c2ccccc2)c(C(c2ccccc2)N2CCCC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L11 O43521 1/20 0.47
BCL2A1 Q16548 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BAX Q07812 1/20 0.41
GRIK2 Q13002 2/20 0.40
OPRD1 P41143 1/20 0.39
RCE1 Q9Y256 1/20 0.39
P2RX7 Q99572 2/20 0.38
CLK1 P49759 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL5257433 0.86 ALDH1A1 (0.43) BCL2L11BCL2A1ALDH1A1KDM4EPOLB
SCHEMBL5260185 0.84 BCL2L11 (0.43) BCL2L11BCL2A1ALDH1A1KDM4EPOLB
SCHEMBL5262341 0.84 MAPT (0.42) BCL2L11BCL2A1ALDH1A1KDM4EPOLB
SCHEMBL5259155 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL5260371 0.74 SLC6A2 (0.47) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL10724635 0.73 CYP19A1 (0.47) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL9657054 0.71 GRIK2 (0.49) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL29078843 0.70 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL9658666 0.69 KDM4E (0.47) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL23665263 0.69 GRIK2 (0.72) ALDH1A1KDM4EPOLBHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP claimed
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US claimed
US-20030060497-A1 Subtituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-03-27 US claimed
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP disclosed
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP disclosed
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US disclosed
US-20030060497-A1 Subtituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-03-27 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 (1 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-20030060497-A1 Subtituted indole mannich bases TPH1, IDO1, TPH2 BCL2L11 4119/4885BCL2A1 2381/4885ALDH1A1 667/4885

“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.