SCHEMBL3787498

SCHEMBL3787498

CCOC(=O)C=Cc1cc2c(s1)C(=O)Cc1ccccc1C2=C1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.55
HRH1 P35367 5/20 0.55
LMNA P02545 3/20 0.55
CHRM2 P08172 3/20 0.55
ADRA2A P08913 3/20 0.55
CHRM1 P11229 3/20 0.55
ADRA2B P18089 3/20 0.55
DRD1 P21728 3/20 0.55
HTR2A P28223 3/20 0.55
HTR2C P28335 3/20 0.55
HTR3A P46098 3/20 0.55
DRD2 P14416 3/20 0.55
CHRM4 P08173 2/20 0.55
CHRM5 P08912 2/20 0.55
CHRM3 P20309 2/20 0.55
HTR6 P50406 2/20 0.55
MAPK1 P28482 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HTR7 P34969 2/20 0.55
DRD5 P21918 1/20 0.55

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
SCHEMBL3787497 1.00 DRD3 (0.55) DRD3HRH1LMNACHRM2ADRA2A
SCHEMBL3036656 0.87 DRD3 (0.68) DRD3HRH1LMNACHRM2ADRA2A
SCHEMBL3036659 0.87 DRD3 (0.68) DRD3HRH1LMNACHRM2ADRA2A
SCHEMBL3040906 0.85 MAPK1 (0.47) DRD3HRH1LMNACHRM2ADRA2A
SCHEMBL3040904 0.85 MAPK1 (0.47) DRD3HRH1LMNACHRM2ADRA2A
Hydrochloric Acid SCHEMBL3040291 0.83 MAPK1 (0.52) DRD3HRH1LMNACHRM2ADRA2A
Hydrochloric Acid SCHEMBL3040296 0.83 MAPK1 (0.52) DRD3HRH1LMNACHRM2ADRA2A
SCHEMBL14693553 0.83 DRD3 (0.55) DRD3HRH1LMNACHRM2ADRA2A
Hydrochloric Acid SCHEMBL3043688 0.79 MAPT (0.48) LMNAMAPK1TDP1NPSR1CYP3A4
Hydrochloric Acid SCHEMBL3043690 0.79 MAPT (0.48) LMNAMAPK1TDP1NPSR1CYP3A4

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
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

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 DRD3 88/4885HRH1 4/4885LMNA 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.