SCHEMBL3114012

SCHEMBL3114012

CN1CCC(Oc2ncccc2OCCO)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.47
SSTR4 P31391 8/20 0.44
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
NMT1 P30419 1/20 0.42
DGAT2 Q96PD7 1/20 0.41
SSTR1 P30872 1/20 0.41
HRH1 P35367 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6926433 0.76 LRRK2 (0.54) LRRK2SSTR4NMT1SSTR1
SCHEMBL20069579 0.75 SSTR4 (0.51) LRRK2SSTR4NMT1SMN1; SMN2
SCHEMBL16174937 0.75 SSTR4 (0.51) LRRK2SSTR4NMT1
SCHEMBL3287106 0.75 LRRK2 (0.47) LRRK2SSTR4NMT1SSTR1HRH1
SCHEMBL3124254 0.74 CHRNB4 (0.70) CHRNB4CHRNA3
SCHEMBL6181645 0.74 CHRNB4 (0.70) CHRNB4CHRNA3
SCHEMBL3123997 0.74 CHRNB4 (0.60) CHRNB4CHRNA3
SCHEMBL3120860 0.74 HTR2C (0.40) LRRK2SSTR4CHRNB4CHRNA3NMT1
SCHEMBL20070246 0.73 RET (0.48) SMN1; SMN2
SCHEMBL4318642 0.73 CHRNB4 (0.48) CHRNB4CHRNA3SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513831-B1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB PUBL (SE) 2010-01-06 EP disclosed
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US disclosed
EP-1513831-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Biovitrum AB (SE) 2005-03-16 EP disclosed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 US disclosed
WO-2004000830-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2003-12-31 WO 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-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A LRRK2 722/4885SSTR4 241/4885CHRNB4 115/4885

“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.