SCHEMBL1023384

SCHEMBL1023384

Oc1ccc2cc(C3=CC4CCC(C3)N4)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
P2RY14 Q15391 1/20 0.43
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL1023383 1.00 CHRNB2 (0.48) CHRNB2CHRNA4P2RY14ESR1ESR2
Hydrochloric Acid SCHEMBL1072684 0.99 CHRNB2 (0.47) CHRNB2CHRNA4P2RY14ESR1ESR2
SCHEMBL1023489 0.85 CHRNB2 (0.54) CHRNB2CHRNA4P2RY14
SCHEMBL1022339 0.81 CHRNB2 (0.52) CHRNB2CHRNA4P2RY14
SCHEMBL1022337 0.81 CHRNB2 (0.52) CHRNB2CHRNA4P2RY14
Cadaverine Tartrate SCHEMBL1023809 0.77 P2RY14 (0.45) CHRNB2CHRNA4P2RY14
SCHEMBL2413769 0.76 CHRNB2 (0.41) CHRNB2CHRNA4P2RY14ESR1ESR2
SCHEMBL2413772 0.76 CHRNB2 (0.41) CHRNB2CHRNA4P2RY14ESR1ESR2
SCHEMBL7455117 0.75 CHRNB2 (0.46) CHRNB2CHRNA4P2RY14
Cadaverine Tartrate SCHEMBL1023378 0.74 CHRNB2 (0.43) CHRNB2CHRNA4P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137625-A1 Novel Enantiomers and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2009-05-28 US claimed
EP-1869033-A1 NOVEL ENANTIOMERS AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-12-26 EP claimed
WO-2006108789-A1 NOVEL ENANTIOMERS AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-10-19 WO claimed
EP-2272847-A1 Enantiomers and their use as monoamine neurotransmitter re-uptake inhibitors NeuroSearch A/S (DK) 2011-01-12 EP disclosed
US-20090137625-A1 Novel Enantiomers and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2009-05-28 US disclosed
EP-1869033-A1 NOVEL ENANTIOMERS AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-12-26 EP disclosed
WO-2006108789-A1 NOVEL ENANTIOMERS AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-10-19 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-20090137625-A1 Novel Enantiomers and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC6A3 CHRNB2 90/4885CHRNA4 129/4885P2RY14 1635/4885

“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.