SCHEMBL1885283

SCHEMBL1885283

CCCN(CCC)C[C@H]1COc2c(Cl)cc(S(C)(=O)=O)cc2O1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 5/20 0.34
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR6 P50406 1/20 0.31
FFAR1 O14842 1/20 0.31
BRD4 O60885 1/20 0.30
CA1 P00915 1/20 0.30
TP53 P04637 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
SCHEMBL1883802 0.96 LMNA (0.35) RORCLMNASMN1; SMN2CA2ALDH1A1
SCHEMBL1885435 0.91 LMNA (0.38) LMNASMN1; SMN2CA2HTR6BRD4
SCHEMBL1882754 0.90 CA2 (0.36) RORCLMNASMN1; SMN2CA2ALDH1A1
SCHEMBL1881632 0.86 CA2 (0.37) RORCLMNASMN1; SMN2CA2HTR6
SCHEMBL1889982 0.86 CA2 (0.39) LMNASMN1; SMN2CA2ALDH1A1HTR6
SCHEMBL1884451 0.85 LMNA (0.37) LMNASMN1; SMN2CA2HTR6BRD4
SCHEMBL1889775 0.82 CA2 (0.35) LMNASMN1; SMN2CA2FFAR1
SCHEMBL1883681 0.81 CA2 (0.38) CA2HTR6FFAR1BRD4CA1
SCHEMBL1884997 0.80 HTR6 (0.46) LMNASMN1; SMN2CA2ALDH1A1NPSR1
SCHEMBL1885707 0.80 POLB (0.48) LMNASMN1; SMN2CA2HTR6CA1

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 6 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 claimed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US claimed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US claimed
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

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 RORC 3369/4885LMNA 4504/4885SMN1; SMN2 689/4885

“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.