SCHEMBL3065685

SCHEMBL3065685

Brc1cc(N2CCNCC2)cnc1Br

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 19/20 0.71
CHRNA4 P43681 19/20 0.71
CHRNB4 P30926 4/20 0.51
CHRNA3 P32297 4/20 0.51
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL3068858 0.94 CHRNB2 (0.74) CHRNB2CHRNA4
SCHEMBL3055492 0.83 CHRNB2 (1.00) CHRNB2CHRNA4KDM4E
SCHEMBL3062698 0.83 CHRNB2 (0.88) CHRNB2CHRNA4CHRNB4CHRNA3KDM4E
SCHEMBL3060380 0.79 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3184064 0.79 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3KDM4E
SCHEMBL5655582 0.78 CHRNB2 (0.70) CHRNB2CHRNA4
SCHEMBL5656700 0.78 CHRNB2 (0.70) CHRNB2CHRNA4
SCHEMBL3055695 0.78 CHRNB2 (1.00) CHRNB2CHRNA4
SCHEMBL3061516 0.78 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5655608 0.75 CHRNB2 (0.69) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267739-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE OLSEN GUNNAR M 2010-10-21 US claimed
JP-4312456-B2 2009-08-12 JP claimed
US-20070265241-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE OLSEN GUNNAR M 2007-11-15 US claimed
EP-1757600-A2 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NeuroSearch A/S (DK) 2007-02-28 EP claimed
US-20040092508-A1 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance ANIONA APS (DK) 2004-05-13 US claimed
JP-2004510813-A 2004-04-08 JP claimed
EP-1358177-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NeuroSearch A/S (DK) 2003-11-05 EP claimed
WO-2002030405-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NEUROSEARCH A/S (DK) 2002-04-18 WO claimed
US-20100267739-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE OLSEN GUNNAR M 2010-10-21 US disclosed
US-7307087-B2 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NEUROSEARCH A/S (DK) 2007-12-11 US disclosed
US-20070265241-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE OLSEN GUNNAR M 2007-11-15 US disclosed
EP-1757600-A2 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NeuroSearch A/S (DK) 2007-02-28 EP disclosed
US-20040092508-A1 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance ANIONA APS (DK) 2004-05-13 US disclosed
EP-1358177-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NeuroSearch A/S (DK) 2003-11-05 EP disclosed
WO-2002030405-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NEUROSEARCH A/S (DK) 2002-04-18 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 (3 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-20070265241-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE TAAR5, CHRNA5, CHRNA4 CHRNB2 15/4885CHRNA4 3/4885CHRNB4 18/4885
US-20040092508-A1 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance TAAR5, CHRNA5, CHRNA4 CHRNB2 15/4885CHRNA4 3/4885CHRNB4 18/4885
US-20100267739-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE CHRNA10, CHRNA2, CHRNA7 CHRNB2 14/4885CHRNA4 5/4885CHRNB4 18/4885

“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.