SCHEMBL8222045

SCHEMBL8222045

c1cnc([C@H]2CCCN2)nc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.52
CHRNA4 P43681 4/20 0.52
CHRNA7 P36544 2/20 0.52
MEN1 O00255 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CHRM5 P08912 3/20 0.44
CHRM3 P20309 3/20 0.44
CHRM1 P11229 2/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
AURKA O14965 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL3921349 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL3921342 1.00 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL7474868 0.94 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL2168771 0.84 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
Hydrochloric Acid SCHEMBL22092380 0.82 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA7
SCHEMBL17155268 0.78 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL2636340 0.78 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL12644566 0.78 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL17791781 0.77 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL29977611 0.76 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7MEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 US disclosed
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 CHRNB2 4733/4885CHRNA4 4631/4885CHRNA7 4356/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF CHRNB2 4402/4885CHRNA4 4253/4885CHRNA7 3706/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 CHRNB2 4410/4885CHRNA4 4571/4885CHRNA7 4169/4885

“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.