SCHEMBL5465331

SCHEMBL5465331

COc1ccccc1N1CCC(C#N)(c2ccsc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
DRD2 P14416 7/20 0.49
DRD3 P35462 5/20 0.49
HTR1A P08908 3/20 0.47
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR3A P46098 1/20 0.45
HTR6 P50406 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.41
HTR1D P28221 1/20 0.41

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
SCHEMBL4882594 0.86 DRD2 (0.55) DRD2DRD3HTR1AHTR3EHTR3B
SCHEMBL5465370 0.82 DRD2 (0.51) ALDH1A1DRD2DRD3HTR1AHTR3E
SCHEMBL5476121 0.81 KMT2A (0.53) DRD2DRD3HTR1AHTR3EHTR3B
SCHEMBL5465339 0.81 DRD2 (0.55) ALDH1A1DRD2DRD3HTR3EHTR3B
SCHEMBL5482306 0.80 KMT2A (0.51) DRD2DRD3HTR1AHTR3EHTR3B
SCHEMBL4870906 0.80 KMT2A (0.67) DRD2DRD3HTR1AMAPTSMN1; SMN2
SCHEMBL5478188 0.79 MAPT (0.51) ALDH1A1DRD2DRD3HTR1AHTR3E
SCHEMBL5477018 0.79 GAA (0.50) ALDH1A1DRD2DRD3HTR3EHTR3B
SCHEMBL5470196 0.79 KMT2A (0.50) ALDH1A1DRD2DRD3HTR3EHTR3B
SCHEMBL5477091 0.79 KMT2A (0.50) ALDH1A1DRD2DRD3HTR1AHTR3E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 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-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 ALDH1A1 2990/4885DRD2 551/4885DRD3 552/4885

“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.