SCHEMBL3985348

SCHEMBL3985348

c1csc(CN2CCN3CCC2CC3)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.40
▸ CYP2D6 P10635 6/20 0.38
▸ TSHR P16473 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33

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
SCHEMBL5266232 0.73 ALOX15 (0.42) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL28135479 0.72 HRH3 (0.44) ALOX15TSHRALDH1A1CYP2C9
SCHEMBL11387438 0.71 ALDH1A1 (0.48) ALDH1A1
SCHEMBL4336492 0.69 CHRNA7 (0.40) CYP2D6ALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL3990816 0.69 TRPV6 (0.46) ALDH1A1CYP1A2SIGMAR1CYP2C19
SCHEMBL28290468 0.69 ALOX15 (0.47) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL3982197 0.68 MEN1 (0.50) ALOX15ALDH1A1MAPK1
SCHEMBL1958015 0.68 ALOX15 (0.52) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL14375259 0.68 ALOX15 (0.52) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL3983242 0.68 SIGMAR1 (0.37) ALDH1A1SIGMAR1JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482338-B2 Non-amide nonanes ASTRAZENECA AB (SE) 2009-01-27 — — US claimed
EP-1673372-B1 NON-AMIDE NONANES ASTRAZENECA AB (SE) 2007-05-30 — — EP claimed
US-20070043031-A1 4-(thiazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; 4-(2-phenyl-imidazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; nicotinic acetylcholine receptor agonists; diagnostics; amidation of 1,4-diaza-bicyclo[3.2.2]nonane, reduction and reductive amination ASTRAZENECA AB (SE) 2007-02-22 — — US claimed
US-7482338-B2 Non-amide nonanes ASTRAZENECA AB (SE) 2009-01-27 — — US disclosed
US-7482338-B2 Non-amide nonanes ASTRAZENECA AB (SE) 2009-01-27 — — US disclosed
EP-1673372-B1 NON-AMIDE NONANES ASTRAZENECA AB (SE) 2007-05-30 — — EP disclosed
EP-1673372-B1 NON-AMIDE NONANES ASTRAZENECA AB (SE) 2007-05-30 — — EP disclosed
US-20070043031-A1 4-(thiazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; 4-(2-phenyl-imidazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; nicotinic acetylcholine receptor agonists; diagnostics; amidation of 1,4-diaza-bicyclo[3.2.2]nonane, reduction and reductive amination ASTRAZENECA AB (SE) 2007-02-22 — — US disclosed
US-20070043031-A1 4-(thiazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; 4-(2-phenyl-imidazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; nicotinic acetylcholine receptor agonists; diagnostics; amidation of 1,4-diaza-bicyclo[3.2.2]nonane, reduction and reductive amination ASTRAZENECA AB (SE) 2007-02-22 — — US disclosed
EP-1673372-A1 NON-AMIDE NONANES AstraZeneca AB (SE) 2006-06-28 — — EP disclosed
WO-2005030777-A1 NON-AMIDE NONANES ASTRAZENECA AB (SE) 2005-04-07 — — 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-20070043031-A1 4-(thiazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; 4-(2-phenyl-imidazol-5-ylmethyl)-1,4-diaza-bicyclo[3.2.2]nonane; nicotinic acetylcholine receptor agonists; diagnostics; amidation of 1,4-diaza-bicyclo[3.2.2]nonane, reduction and reductive amination CHRND, CHRNE, CHRM2 ALOX15 2812/4885CYP2D6 537/4885TSHR 50/4885

“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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