SCHEMBL5832065

SCHEMBL5832065

CN1C2CCC1CN(c1ccc(-c3ccsc3)nc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.47
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNA4 P43681 2/20 0.41
NEK2 P51955 1/20 0.38
HTR6 P50406 1/20 0.35
FYN P06241 2/20 0.35
P2RX3 P56373 1/20 0.35

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
SCHEMBL27494524 0.79 NPC1 (0.44) CHRNB2CHRNA7CHRNA4NEK2
SCHEMBL5833130 0.79 ALDH1A1 (0.49) CHRNB2CHRNA7CHRNA4
SCHEMBL5832239 0.78 CHRNA7 (0.57) CHRNB2CHRNA7CHRNA4
SCHEMBL925343 0.78 CHRNB2 (0.67) HRH4CYP11B1CYP11B2CHRNB2CHRNA7
SCHEMBL3387347 0.75 CHRNA7 (0.45) HRH4CHRNA7HTR6
SCHEMBL5832709 0.75 CHRNB2 (0.41) CYP11B2CHRNB2CHRNA7CHRNA4
SCHEMBL5833150 0.74 HRH4 (0.38) HRH4HTR6P2RX3
SCHEMBL6210726 0.74 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4
SCHEMBL5041409 0.74 CHRNB2 (0.53) CHRNB2CHRNA4
SCHEMBL5832405 0.74 CHRNB2 (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060699-B2 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-13 US disclosed
EP-1301514-B1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2005-01-26 EP disclosed
CN-1185233-C Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2005-01-19 CN disclosed
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US disclosed
CN-1440411-A Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2003-09-03 CN 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-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use CHRNA7, CHRNA5, CHRNA2 HRH4 309/4885CYP11B1 529/4885CYP11B2 537/4885

“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.