SCHEMBL3036650

SCHEMBL3036650

CN1CCC(=C2c3cc(C(=O)O)ccc3CCc3sccc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.64
MEN1 O00255 1/20 0.64
MAPT P10636 1/20 0.64
KMT2A Q03164 1/20 0.64
CHRM2 P08172 4/20 0.62
ADRA2A P08913 4/20 0.62
CHRM1 P11229 4/20 0.62
DRD1 P21728 4/20 0.62
DRD3 P35462 4/20 0.62
LMNA P02545 3/20 0.62
ADRA2B P18089 3/20 0.62
HTR2A P28223 3/20 0.62
HTR2C P28335 3/20 0.62
HRH1 P35367 3/20 0.62
HTR3A P46098 3/20 0.62
ADRA1A P35348 3/20 0.62
KCNH2 Q12809 3/20 0.62
DRD2 P14416 2/20 0.62
HTR7 P34969 2/20 0.62
ADRA2C P18825 2/20 0.62

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 0.86 MAPK1 (0.47) MAPK1MEN1MAPTKMT2ACHRM2
SCHEMBL14693636 0.85 DRD3 (0.55) MAPK1MEN1MAPTKMT2ACHRM2
SCHEMBL3789710 0.83 MAPK1 (0.60) MAPK1MEN1MAPTKMT2ACHRM2
SCHEMBL29628060 0.83 SETD7 (0.66) MAPK1MEN1MAPTKMT2ACHRM2
SCHEMBL11487349 0.83 SETD7 (0.66) MAPK1MEN1MAPTKMT2ACHRM2
Hydrochloric Acid SCHEMBL3036763 0.82 MAPT (0.59) MAPK1MEN1MAPTKMT2ACHRM2
Hydrochloric Acid SCHEMBL11118879 0.81 SETD7 (0.64) MAPK1MEN1MAPTKMT2ACHRM2
SCHEMBL14693638 0.81 MAPT (0.43) MAPK1MEN1MAPTKMT2ACHRM2
Hydrochloric Acid SCHEMBL14693599 0.79 CYP2D6 (0.57) MAPK1MEN1MAPTKMT2ACHRM2
Pizotyline SCHEMBL1000902 0.78 MAPK1 (1.00) MAPK1MEN1MAPTKMT2ACHRM2

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 MAPK1 3605/4885MEN1 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.