SCHEMBL3073225

SCHEMBL3073225

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cnc1Br

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.57
CHRNA4 P43681 5/20 0.57
ALK Q9UM73 5/20 0.51
SUV39H2 Q9H5I1 3/20 0.49
GPR119 Q8TDV5 3/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABCB1 P08183 1/20 0.46
TLR9 Q9NR96 1/20 0.46
CHRNB4 P30926 4/20 0.46
CHRNA3 P32297 4/20 0.46

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
SCHEMBL5658561 0.95 CHRNB2 (0.53) CHRNB2CHRNA4ALKSUV39H2GPR119
SCHEMBL25192257 0.87 ALK (0.50) ALKSUV39H2GPR119MAPTALDH1A1
SCHEMBL31173935 0.87 ALK (0.50) ALKSUV39H2GPR119MAPTALDH1A1
SCHEMBL25168082 0.86 ALK (0.49) ALKSUV39H2GPR119MAPTALDH1A1
SCHEMBL6351591 0.86 CHRNB2 (0.55) CHRNB2CHRNA4ALKSUV39H2GPR119
SCHEMBL3061938 0.85 MAPT (0.50) CHRNB2CHRNA4ALKSUV39H2GPR119
SCHEMBL5657135 0.84 CHRNB2 (0.57) CHRNB2CHRNA4ALKSUV39H2GPR119
SCHEMBL5655638 0.84 CKS1B (0.47) CHRNB2CHRNA4ALKSUV39H2GPR119
SCHEMBL29950741 0.84 ALK (0.50) ALKSUV39H2GPR119MAPTALDH1A1
SCHEMBL25167475 0.84 ALK (0.50) ALKSUV39H2GPR119MAPTALDH1A1

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
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

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 3/4885ALK 809/4885
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 3/4885ALK 809/4885
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 5/4885ALK 963/4885

“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.