SCHEMBL3040945

SCHEMBL3040945

O=C(O)C=Cc1cc2c(s1)CCc1ccccc1C2=C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
JAK2 O60674 1/20 0.43
CYP3A4 P08684 1/20 0.41
HRH1 P35367 8/20 0.41
HRH4 Q9H3N8 5/20 0.41
PTAFR P25105 1/20 0.41
CHRM2 P08172 2/20 0.39
ADRA2A P08913 2/20 0.39
CHRM1 P11229 2/20 0.39
DRD2 P14416 2/20 0.39
ADRA2B P18089 2/20 0.39
DRD1 P21728 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 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
SCHEMBL3040942 1.00 MAPK1 (0.52) MAPK1MEN1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL3040953 0.87 MAPK1 (0.67) MAPK1MEN1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL3040955 0.87 MAPK1 (0.67) MAPK1MEN1MAPTKMT2ALMNA
SCHEMBL3049181 0.87 MAPK1 (0.44) MAPK1MEN1MAPTKMT2ALMNA
SCHEMBL3049184 0.87 MAPK1 (0.44) MAPK1MEN1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL3041320 0.84 MEN1 (0.41) MAPK1MEN1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL3041316 0.84 MEN1 (0.41) MAPK1MEN1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL3047911 0.83 MAPK1 (0.54) MAPK1MEN1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL3047908 0.83 MAPK1 (0.54) MAPK1MEN1MAPTKMT2ALMNA
SCHEMBL3701654 0.81 HRH1 (0.55) MAPK1MEN1MAPTKMT2ALMNA

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 8 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
EP-2243778-B1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2014-10-29 EP disclosed
US-8536342-B2 Process for producing thiabenzoazulene-propionic acid derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-8377967-B2 Piperidine derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2013-02-19 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
US-20100331365-A1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 US disclosed
EP-2243778-A1 PIPERIDINE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2010-10-27 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 (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-20100331365-A1 PIPERIDINE DERIVATIVE HRH4, HRH3, HRH2 MAPK1 3605/4885MEN1 4423/4885MAPT 2217/4885
US-20120123127-A1 PROCESS FOR PRODUCING THIABENZOAZULENE-PROPIONIC ACID DERIVATIVE HRH4, HRH2, HRH1 MAPK1 1509/4885MEN1 1496/4885MAPT 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.