SCHEMBL3040648

SCHEMBL3040648

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 12/20 0.69
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NOTUM Q6P988 1/20 0.47
FNTA P49354 3/20 0.47
FNTB P49356 3/20 0.47
HRH1 P35367 2/20 0.46
ADRB2 P07550 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 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
SCHEMBL3046177 0.90 MAPK1 (0.60) PTAFRMEN1MAPTMAPK1KMT2A
Hydrochloric Acid SCHEMBL3044343 0.89 MAPK1 (0.59) PTAFRMEN1MAPTMAPK1KMT2A
SCHEMBL3042922 0.86 HRH1 (0.58) PTAFRMEN1MAPTMAPK1KMT2A
SCHEMBL3043915 0.86 MAPK1 (0.48) PTAFRMEN1MAPTMAPK1KMT2A
SCHEMBL14693428 0.86 PTAFR (0.61) PTAFRMEN1MAPTMAPK1KMT2A
Methoxyamine SCHEMBL3146562 0.85 MAPK1 (0.55) PTAFRMEN1MAPTMAPK1KMT2A
Hydrochloric Acid SCHEMBL3045212 0.85 MEN1 (0.47) PTAFRMEN1MAPTMAPK1KMT2A
Hydrochloric Acid SCHEMBL3046179 0.83 KMT2A (0.48) PTAFRMEN1MAPTMAPK1KMT2A
SCHEMBL3043670 0.83 MAPK1 (0.47) PTAFRMEN1MAPTMAPK1KMT2A
SCHEMBL3040970 0.82 ALDH1A1 (0.52) PTAFRMEN1MAPTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTAFR 590/4885MEN1 4423/4885MAPT 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.