SCHEMBL1021998

SCHEMBL1021998

OC[C@H]1COc2c(F)cc(Br)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
HTR1A P08908 3/20 0.36
FFAR1 O14842 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAPK1 P28482 1/20 0.31
F2RL3 Q96RI0 1/20 0.31

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
SCHEMBL1019142 1.00 CA2 (0.36) CA2HTR1AFFAR1L3MBTL1RXFP1
SCHEMBL15864983 0.84 HTR1A (0.40) CA2HTR1AL3MBTL1MAPK1F2RL3
SCHEMBL1044349 0.84 HTR1A (0.40) CA2HTR1AL3MBTL1MAPK1F2RL3
SCHEMBL15864981 0.82 HTR1A (0.47) CA2HTR1AFFAR1L3MBTL1MAPK1
SCHEMBL1019535 0.82 HTR1A (0.36) CA2HTR1AFFAR1RXFP1F2RL3
SCHEMBL15864979 0.82 HTR1A (0.47) CA2HTR1AFFAR1L3MBTL1MAPK1
SCHEMBL15865515 0.78 HTR1A (0.35) CA2HTR1AFFAR1L3MBTL1MAPK1
SCHEMBL15865514 0.78 HTR1A (0.35) CA2HTR1AFFAR1L3MBTL1MAPK1
SCHEMBL8125243 0.76 CA2 (0.58) CA2HTR1AL3MBTL1MAPK1
SCHEMBL1021592 0.76 CA2 (0.41) CA2HTR1AFFAR1

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-2271634-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-02-12 EP disclosed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US disclosed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
EP-2271634-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133107-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 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-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 CA2 3728/4885HTR1A 54/4885FFAR1 2523/4885

“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.