SCHEMBL3701654

SCHEMBL3701654

CCOC(=O)N1CCC(=C2c3ccccc3CCc3sc(C=CC(=O)O)cc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.55
MAPK1 P28482 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PTAFR P25105 1/20 0.47
SLC6A15 Q9H2J7 6/20 0.46
LMNA P02545 4/20 0.46
CHRM2 P08172 3/20 0.46
HTR2A P28223 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
CHRM3 P20309 2/20 0.46
PMP22 Q01453 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
OPRK1 P41145 2/20 0.46
HTR2B P41595 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46

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
SCHEMBL3701651 1.00 HRH1 (0.55) HRH1MAPK1MAPTMEN1KMT2A
SCHEMBL3030449 0.93 HRH1 (0.55) HRH1MAPK1MAPTMEN1KMT2A
SCHEMBL3030446 0.93 HRH1 (0.55) HRH1MAPK1MAPTMEN1KMT2A
SCHEMBL3704516 0.89 HRH1 (0.58) HRH1MAPK1MAPTMEN1KMT2A
SCHEMBL3699965 0.88 MAPK1 (0.53) HRH1MAPK1MAPTMEN1KMT2A
SCHEMBL3699967 0.88 MAPK1 (0.53) HRH1MAPK1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3047911 0.86 MAPK1 (0.54) HRH1MAPK1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3047908 0.86 MAPK1 (0.54) HRH1MAPK1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3040953 0.85 MAPK1 (0.67) HRH1MAPK1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3040955 0.85 MAPK1 (0.67) HRH1MAPK1MAPTMEN1KMT2A

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
EP-2460803-B1 METHOD FOR PRODUCING THIABENZOAZULENE PROPIONIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2016-01-13 EP disclosed
US-8536342-B2 Process for producing thiabenzoazulene-propionic acid derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2013-09-17 US disclosed
EP-2460803-A1 METHOD FOR PRODUCING THIABENZOAZULENE PROPIONIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2012-06-06 EP disclosed
US-20120123127-A1 PROCESS FOR PRODUCING THIABENZOAZULENE-PROPIONIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120123127-A1 PROCESS FOR PRODUCING THIABENZOAZULENE-PROPIONIC ACID DERIVATIVE HRH4, HRH2, HRH1 HRH1 3/4885MAPK1 1509/4885MAPT 900/4885

“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.