SCHEMBL3044463

SCHEMBL3044463

CCN1CCC(=C2c3cc(C(=O)O)ccc3CCc3ccsc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
SETD7 Q8WTS6 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
HRH1 P35367 6/20 0.35
DRD3 P35462 5/20 0.35
LMNA P02545 3/20 0.35
CHRM2 P08172 3/20 0.35
ADRA2A P08913 3/20 0.35
CHRM1 P11229 3/20 0.35
ADRA2B P18089 3/20 0.35
DRD1 P21728 3/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35

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 0.90 MAPK1 (0.47) MAPK1MEN1MAPTKMT2ASETD7
SCHEMBL3046574 0.87 SRD5A1 (0.39) MAPK1MEN1MAPTKMT2ASRD5A1
SCHEMBL3040876 0.81 HRH1 (0.41) MAPTSRD5A1SRD5A2HRH1LMNA
SCHEMBL3042897 0.78 CYP2C9 (0.43) MAPK1MEN1MAPTKMT2APOLB
SCHEMBL3036650 0.76 MAPK1 (0.64) MAPK1MEN1MAPTKMT2ASETD7
Hydrochloric Acid SCHEMBL3037285 0.73 CYP2D6 (0.45) MAPK1MEN1MAPTKMT2ASETD7
Hydrochloric Acid SCHEMBL14693649 0.72 CYP2D6 (0.44) MAPK1MEN1MAPTKMT2ASETD7
SCHEMBL3039108 0.72 HRH1 (0.42) HRH1LMNAADRA1DADRA1AKCNH2
Hydrochloric Acid SCHEMBL3043646 0.71 HRH1 (0.41) HRH1LMNAADRA1DADRA1AKCNH2
SCHEMBL11487349 0.70 SETD7 (0.66) MAPK1MEN1MAPTKMT2ASETD7

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 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.