SCHEMBL3040876

SCHEMBL3040876

O=C(O)c1ccc2c(c1)C(=C1CCNCC1)c1sccc1CC2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.41
HRH4 Q9H3N8 3/20 0.41
TDP2 O95551 2/20 0.39
SRD5A2 P31213 5/20 0.39
SRD5A1 P18405 4/20 0.39
ALDH1A1 P00352 1/20 0.36
JAK2 O60674 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
KDM1A O60341 1/20 0.34
AKR1C3 P42330 2/20 0.33
MELK Q14680 1/20 0.33

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
SCHEMBL3050531 0.84 MAPK1 (0.47) HRH1HRH4TDP2SRD5A2SRD5A1
SCHEMBL3044463 0.81 MAPK1 (0.38) HRH1HRH4TDP2SRD5A2SRD5A1
SCHEMBL3042897 0.71 CYP2C9 (0.43) HRH1HRH4SRD5A2SRD5A1ALDH1A1
SCHEMBL3036650 0.70 MAPK1 (0.64) HRH1HRH4SRD5A2SRD5A1LMNA
SCHEMBL3042921 0.69 HRH1 (0.42) HRH1HRH4LMNA
SCHEMBL3046574 0.69 SRD5A1 (0.39) HRH1SRD5A2SRD5A1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3044388 0.69 HRH1 (0.42) HRH1HRH4LMNA
Hydrochloric Acid SCHEMBL3037285 0.68 CYP2D6 (0.45) HRH1HRH4SRD5A2ALDH1A1LMNA
SCHEMBL3440731 0.67 ALDH1A1 (0.69) SRD5A2SRD5A1ALDH1A1KDM4EMAPT
SCHEMBL31431434 0.67 MAP3K14 (0.51) ALDH1A1

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 HRH1 4/4885HRH4 1/4885TDP2 3884/4885

“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.