SCHEMBL8220184

SCHEMBL8220184

CN1CCN(Cc2cccc(C3CCCN3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.48
CHKA P35790 5/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CA2 P00918 1/20 0.42
NCF1 P14598 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRM3 P20309 1/20 0.40
PARP1 P09874 1/20 0.40
KDR P35968 1/20 0.39
LMNA P02545 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 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
SCHEMBL8212158 0.89 PRMT6 (0.49) PRMT6CHRNB2CHRNA7CHRNA4
SCHEMBL8221503 0.89 PRMT6 (0.45) PRMT6CHRNB2CHRNA7CHRNA4
SCHEMBL8219730 0.88 SMN1; SMN2 (0.50) HRH3PRMT6CHRNB2CHRNA7CHRNA4
SCHEMBL8219714 0.85 NCF1 (0.51) HRH3NCF1CHRNB2CHRNA7CHRNA4
SCHEMBL13499190 0.84 SMN1; SMN2 (0.49) HRH3PRMT6CHRNB2CHRNA7CHRNA4
SCHEMBL18466133 0.78 CHRNA7 (0.49) CHRNB2CHRNA7CHRNA4CHRM3
SCHEMBL8219698 0.77 CHRNA7 (0.45) CHRNB2CHRNA7CHRNA4CHRM3
SCHEMBL8504541 0.75 DRD2 (0.49) CHRNB2CHRNA7CHRNA4CHRM3
SCHEMBL13535291 0.75 MC4R (0.74) MC4RCHKAHRH3CA2NCF1
SCHEMBL18617707 0.75 CHRNB2 (0.49) CHRNB2CHRNA7CHRNA4CHRM3PRMT5

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 8 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-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-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
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
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 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 (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 MC4R 2428/4885CHKA 3239/4885HRH3 2338/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF MC4R 2032/4885CHKA 3195/4885HRH3 2524/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 MC4R 2370/4885CHKA 1896/4885HRH3 1702/4885

“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.