SCHEMBL5477018

SCHEMBL5477018

COc1ccccc1N1CCC(C#N)(c2cccc(O)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
DRD2 P14416 4/20 0.47
DRD3 P35462 3/20 0.47
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
P4HB P07237 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR3A P46098 1/20 0.43
HTR6 P50406 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL4870906 0.87 KMT2A (0.67) GAARAB9AKMT2ADRD2DRD3
SCHEMBL5482306 0.87 KMT2A (0.51) RAB9AKMT2ADRD2DRD3NPC1
SCHEMBL4882594 0.86 DRD2 (0.55) GAAKMT2ADRD2DRD3MAPT
SCHEMBL5470196 0.86 KMT2A (0.50) GAARAB9AALDH1A1KMT2ADRD2
SCHEMBL5478625 0.86 KMT2A (0.50) KMT2ADRD2DRD3NPC1MAPT
SCHEMBL5477091 0.86 KMT2A (0.50) ALDH1A1KMT2ADRD2DRD3SMN1; SMN2
SCHEMBL5475687 0.86 KMT2A (0.50) GAAALDH1A1KMT2ADRD2DRD3
SCHEMBL5466054 0.86 DRD4 (0.52) RAB9AALDH1A1KMT2ADRD2DRD3
SCHEMBL5470444 0.84 KMT2A (0.48) GAARAB9AALDH1A1KMT2ADRD2
SCHEMBL5471179 0.84 KMT2A (0.48) ALDH1A1KMT2ADRD2DRD3NPC1

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 GAA 3785/4885RAB9A 1776/4885ALDH1A1 2990/4885

“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.