SCHEMBL1880834

SCHEMBL1880834

CCN(C)CC1COc2c(F)cc(F)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.35
CA2 P00918 3/20 0.34
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
ALOX5 P09917 3/20 0.32
GLA P06280 1/20 0.31
DRD2 P14416 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL1872899 0.90 TP53 (0.34) LMNASMN1; SMN2MEN1KMT2AGAA
SCHEMBL1869685 0.89 LMNA (0.37) LMNASMN1; SMN2MEN1KMT2AGAA
SCHEMBL1880437 0.87 HPGD (0.37) LMNASMN1; SMN2MEN1KMT2AGAA
SCHEMBL1877751 0.83 LMNA (0.34) LMNASMN1; SMN2MEN1KMT2AGAA
SCHEMBL1884263 0.83 CA2 (0.37) LMNASMN1; SMN2MEN1KMT2AGAA
SCHEMBL1878741 0.83 TP53 (0.35) LMNASMN1; SMN2MEN1KMT2AGAA
SCHEMBL1044349 0.77 HTR1A (0.40) HPGDCA2ALOX5DRD2
SCHEMBL15864983 0.77 HTR1A (0.40) HPGDCA2ALOX5DRD2
SCHEMBL1879143 0.77 CA2 (0.42) SMN1; SMN2HPGDCA2ADRA1DADRA1A
SCHEMBL1876054 0.76 CA2 (0.44) HPGDCA2ADRA1DADRA1AADRA1B

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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US claimed
US-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 LMNA 4504/4885SMN1; SMN2 689/4885MEN1 3561/4885

“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.