SCHEMBL3065598

SCHEMBL3065598

C1CNCCNC1.c1cncc(N2CCCNCC2)c1

nearest known ligand 0.94

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 10/20 0.94
▸ CHRNA4 P43681 10/20 0.94
▸ CHRNA1 P02708 2/20 0.54
▸ CHRNA7 P36544 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.51
▸ CHRNG P07510 1/20 0.51
▸ CHRNB1 P11230 1/20 0.51
▸ CHRNB4 P30926 1/20 0.51
▸ CHRNA3 P32297 1/20 0.51
▸ CHRND Q07001 1/20 0.51

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
SCHEMBL3061045 0.97 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA1CHRNA7ALDH1A1
SCHEMBL5655866 0.94 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA1CHRNA7CHRNG
SCHEMBL6350076 0.92 CHRNB2 (0.91) CHRNB2CHRNA4CHRNA1CHRNA7ALDH1A1
SCHEMBL5335 0.90 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4
SCHEMBL3538787 0.90 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4
SCHEMBL29507540 0.90 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4
Hydrochloric Acid SCHEMBL9066315 0.89 CHRNB2 (0.84) CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4
SCHEMBL30317106 0.84 CHRNB2 (0.81) CHRNB2CHRNA4CHRNA1CHRNA7CHRNG
SCHEMBL7494217 0.84 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA1CHRNA7ALDH1A1
SCHEMBL6352432 0.81 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA1CHRNA7

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-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 3/4885CHRNA1 6/4885
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 3/4885CHRNA1 6/4885
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 5/4885CHRNA1 10/4885

“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.

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