SCHEMBL12005458

SCHEMBL12005458

CN1CCCC1CCc1cc(N)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.46
▸ CHRNB2 P17787 3/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ NOS1 P29475 4/20 0.41
▸ NOS3 P29474 2/20 0.41
▸ NOS2 P35228 2/20 0.41
▸ CHRNB4 P30926 5/20 0.41
▸ CHRNA3 P32297 5/20 0.41
▸ CHRM3 P20309 2/20 0.40
▸ CHRNB1 P11230 1/20 0.40
▸ CHRNB3 Q05901 1/20 0.40
▸ ADRA2A P08913 1/20 0.39

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
SCHEMBL8793039 0.85 CHRNB4 (0.49) SLC6A4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11319093 0.81 CYP1A2 (0.54) SLC6A4CHRNB2CHRNB4CHRNA3CHRM3
SCHEMBL659411 0.78 ADRA2A (0.52) SLC6A4CHRNB4CHRNA3ADRA2A
SCHEMBL4127495 0.78 ADRA2A (0.52) SLC6A4CHRNB4CHRNA3ADRA2A
SCHEMBL3381424 0.78 SLC6A4 (0.71) SLC6A4ADRA2A
SCHEMBL3381418 0.78 SLC6A4 (0.71) SLC6A4ADRA2A
SCHEMBL11322419 0.77 DRD1 (0.47) SLC6A4CHRNB4CHRNA3ADRA2A
Hydrochloric Acid SCHEMBL11325289 0.77 ADRA2A (0.51) SLC6A4CHRNB4CHRNA3ADRA2A
SCHEMBL11379296 0.77 HTR6 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL11324634 0.76 DRD1 (0.44) SLC6A4CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 — — EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 — — US disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 — — 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 (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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 SLC6A4 4255/4885CHRNB2 4591/4885CHRNA4 4406/4885

“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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