SCHEMBL3030516

SCHEMBL3030516

CN1CCC(=C2c3ccccc3OCc3cc(C=CC(=O)O)sc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 7/20 0.48
MAPK1 P28482 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HRH1 P35367 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
HTR1B P28222 1/20 0.47

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
SCHEMBL3030513 1.00 HTT (0.50) HTTCYP3A4MAPTMAPK1MEN1
SCHEMBL3042840 0.86 MAPK1 (0.60) HTTCYP3A4MAPTMAPK1MEN1
SCHEMBL3042843 0.86 MAPK1 (0.60) HTTCYP3A4MAPTMAPK1MEN1
Hydrochloric Acid SCHEMBL3043688 0.86 MAPT (0.48) HTTCYP3A4MAPTMAPK1LMNA
Hydrochloric Acid SCHEMBL3043690 0.86 MAPT (0.48) HTTCYP3A4MAPTMAPK1LMNA
SCHEMBL3046158 0.83 ALDH1A1 (0.67) HTTMAPTMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL3040531 0.82 ALDH1A1 (0.65) HTTMAPTMAPK1MEN1KMT2A
SCHEMBL3046185 0.82 ALDH1A1 (0.46) HTTCYP3A4MAPTMAPK1LMNA
Hydrochloric Acid SCHEMBL3040589 0.81 KCNH2 (0.46) HTTCYP3A4MAPTMAPK1LMNA
SCHEMBL3050560 0.79 SETD7 (0.52) HTTCYP3A4MAPTMAPK1MEN1

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 HTT 466/4885CYP3A4 850/4885MAPT 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.