SCHEMBL4701174

SCHEMBL4701174

O=C(c1ccc(-c2cccnc2)cc1)N1CCN2CCC1CC2

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.55
MKNK2 Q9HBH9 5/20 0.55
ABL1 P00519 3/20 0.50
BCR P11274 3/20 0.50
GHSR Q92847 1/20 0.48
AVPR2 P30518 1/20 0.48
OXTR P30559 1/20 0.48
AVPR1A P37288 1/20 0.48
HTR2B P41595 1/20 0.47
CYP11B2 P19099 1/20 0.47
CHRNA7 P36544 1/20 0.46
ATR Q13535 1/20 0.45
SMO Q99835 1/20 0.44

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
SCHEMBL4700611 0.88 KMO (0.52) ABL1BCRGHSRCYP11B2CHRNA7
SCHEMBL4705060 0.85 CHRNA7 (0.48) GHSRCHRNA7ATR
SCHEMBL4700437 0.85 CHRNA7 (0.55) CHRNA7
SCHEMBL4703053 0.82 DYRK1A (0.43) CHRNA7SMO
SCHEMBL4704002 0.82 CHRNA7 (0.47) MKNK1MKNK2GHSRCHRNA7ATR
SCHEMBL5746072 0.82 CHRNA7 (0.63) CHRNA7
SCHEMBL4700233 0.80 BRAF (0.44) CYP11B2CHRNA7
SCHEMBL4705416 0.80 CHRNA7 (0.53) MKNK1MKNK2CYP11B2CHRNA7
SCHEMBL373015 0.80 MKNK1 (0.56) MKNK1MKNK2CHRNA7
SCHEMBL15778892 0.80 ATR (0.56) GHSRCHRNA7ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP claimed
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2005-10-27 US claimed
EP-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP disclosed
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2005-10-27 US disclosed
EP-1539765-A1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016617-A1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2004-02-26 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-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists CHRNA1, CHRNB1, CHRNA2 MKNK1 3267/4885MKNK2 2588/4885ABL1 3065/4885

“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.