SCHEMBL3047867

SCHEMBL3047867

c1ccc2c(c1)CCc1ccsc1C2=C1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.61
HRH4 Q9H3N8 7/20 0.61
LMNA P02545 5/20 0.50
JAK2 O60674 1/20 0.50
HTT P42858 1/20 0.50
HTR2C P28335 5/20 0.46
DRD3 P35462 5/20 0.46
CHRM2 P08172 4/20 0.46
ADRA2A P08913 4/20 0.46
CHRM1 P11229 4/20 0.46
ADRA2B P18089 4/20 0.46
DRD1 P21728 4/20 0.46
HTR2A P28223 4/20 0.46
DRD2 P14416 4/20 0.46
ADRA2C P18825 3/20 0.46
ADRA1A P35348 3/20 0.46
OPRK1 P41145 3/20 0.46
HTR2B P41595 3/20 0.46
KCNH2 Q12809 3/20 0.46
HTR3A P46098 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
SCHEMBL3044086 0.82 HRH1 (0.52) HRH1HRH4LMNAJAK2HTT
SCHEMBL3042815 0.82 HRH1 (0.68) HRH1HRH4LMNAJAK2HTT
SCHEMBL31350956 0.82 SETD7 (0.58) HRH1HRH4LMNAJAK2HTT
SCHEMBL6178102 0.82 SETD7 (0.58) HRH1HRH4LMNAJAK2HTT
SCHEMBL3044995 0.81 DRD3 (0.70) HRH1HRH4LMNAHTTHTR2C
Bromide SCHEMBL11602086 0.81 HRH1 (0.66) HRH1HRH4LMNAJAK2HTT
Hydrochloric Acid SCHEMBL9718833 0.80 SETD7 (0.56) HRH1HRH4LMNAJAK2HTT
Norketotifen SCHEMBL936577 0.76 HRH1 (1.00) HRH1HRH4LMNAJAK2HTT
SCHEMBL5109816 0.76 CES1 (0.46) HRH1HRH4LMNAHTR2CDRD3
SCHEMBL3040876 0.76 HRH1 (0.41) HRH1HRH4LMNAJAK2HTT

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 1/4885LMNA 4870/4885

“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.