SCHEMBL3046586

SCHEMBL3046586

CN1CCC(=C2c3ccccc3CCc3cc(NC(N)=O)sc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.52
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM2 P08172 5/20 0.46
CHRM1 P11229 5/20 0.46
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
HRH1 P35367 4/20 0.46
ADRA1A P35348 4/20 0.46
KCNH2 Q12809 4/20 0.46
ADRA2A P08913 4/20 0.46
DRD1 P21728 4/20 0.46
DRD3 P35462 4/20 0.46
OPRK1 P41145 3/20 0.46
HTR2B P41595 3/20 0.46
DRD2 P14416 3/20 0.46
HTR1A P08908 3/20 0.46
LMNA P02545 3/20 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
SCHEMBL3037280 0.90 SETD7 (0.53) SETD7MAPK1MAPTMEN1KMT2A
SCHEMBL3050405 0.86 SETD7 (0.54) SETD7MAPK1MAPTMEN1KMT2A
SCHEMBL3788798 0.84 SETD7 (0.47) SETD7MAPK1MAPTMEN1KMT2A
SCHEMBL3036673 0.82 SETD7 (0.44) SETD7MAPK1MAPTMEN1KMT2A
SCHEMBL3034892 0.79 KDM4E (0.65) SETD7MAPK1MAPTMEN1KMT2A
SCHEMBL3042840 0.76 MAPK1 (0.60) SETD7MAPK1MAPTMEN1KMT2A
SCHEMBL3046754 0.76 SETD7 (0.56) SETD7MAPK1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3049107 0.76 SETD7 (0.52) SETD7MAPK1MAPTMEN1KMT2A
SCHEMBL3042843 0.76 MAPK1 (0.60) SETD7MAPK1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3040614 0.75 SETD7 (0.49) SETD7MAPK1MAPTMEN1KMT2A

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-2243778-B1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2014-10-29 EP disclosed
US-8377967-B2 Piperidine derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2013-02-19 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 (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-20100331365-A1 PIPERIDINE DERIVATIVE HRH4, HRH3, HRH2 SETD7 1033/4885MAPK1 3605/4885MAPT 2217/4885

“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.