SCHEMBL1878734

SCHEMBL1878734

FCCCNCC1COc2c(F)cc(F)cc2O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CA2 P00918 2/20 0.40
POLB P06746 1/20 0.39
ESR2 Q92731 1/20 0.39
ADRA1D P25100 5/20 0.36
ADRA1A P35348 5/20 0.36
ADRA1B P35368 5/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
HTR1A P08908 2/20 0.34
HTR1D P28221 1/20 0.34
HTR7 P34969 1/20 0.33

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
SCHEMBL1875160 0.89 POLB (0.46) SMN1; SMN2ALDH1A1CA2POLBESR2
SCHEMBL1042558 0.86 CA2 (0.41) SMN1; SMN2ALDH1A1CA2POLBESR2
SCHEMBL1873324 0.86 POLB (0.54) SMN1; SMN2ALDH1A1CA2POLBESR2
SCHEMBL1879143 0.83 CA2 (0.42) SMN1; SMN2ALDH1A1CA2POLBESR2
SCHEMBL1083037 0.82 ADRA1D (0.46) ALDH1A1ADRA1DADRA1AADRA1BHTR1A
SCHEMBL1876054 0.80 CA2 (0.44) ALDH1A1CA2POLBESR2ADRA1D
SCHEMBL1081154 0.80 CA2 (0.40) CA2POLBESR2ADRA1DADRA1A
SCHEMBL1880014 0.80 CA2 (0.40) SMN1; SMN2ALDH1A1CA2POLBESR2
SCHEMBL1870566 0.76 CA2 (0.41) SMN1; SMN2ALDH1A1CA2POLBESR2
SCHEMBL15864983 0.75 HTR1A (0.40) CA2DRD2HTR1A

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 SMN1; SMN2 689/4885ALDH1A1 1056/4885CA2 3728/4885

“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.