SCHEMBL5832693

SCHEMBL5832693

CN1C2CCC1CN(c1ccc(-c3cc4ccccc4s3)nc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
DCK P27707 3/20 0.40
FAAH O00519 4/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
VCP P55072 1/20 0.37

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
SCHEMBL928241 0.80 CHRNA7 (0.60) KDM1ACYP11B1CYP11B2
SCHEMBL27494524 0.79 NPC1 (0.44)
SCHEMBL5832681 0.78 FAAH (0.40) FAAHCHRM2CHRM4CHRM5CHRM1
SCHEMBL930345 0.76 CHRNB2 (0.60) KDM1ACYP11B1CYP11B2
SCHEMBL5832709 0.75 CHRNB2 (0.41) CYP11B2
SCHEMBL5832247 0.75 HTR3A (0.59)
SCHEMBL2677658 0.74 KCNH2 (0.43) KDM1AFAAHCHRM2CHRM4CHRM5
SCHEMBL5832239 0.74 CHRNA7 (0.57)
SCHEMBL5832188 0.73 MAP4K1 (0.40) CYP11B1CYP11B2
SCHEMBL5465191 0.72 HTR3A (0.54)

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
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
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 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-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use CHRNA7, CHRNA5, CHRNA2 KDM1A 2392/4885CYP11B1 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.