SCHEMBL8224846

SCHEMBL8224846

C[C@@H]1CN(Cc2ccccc2)CCC1CN

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.58
BCHE P06276 7/20 0.50
BACE1 P56817 5/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CCR3 P51677 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MC4R P32245 1/20 0.45

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
SCHEMBL1373575 0.89 ACHE (0.57) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL6078747 0.89 ACHE (0.57) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL691150 0.89 ACHE (0.57) ACHEBCHEBACE1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL2321039 0.88 ACHE (0.55) ACHEBCHEBACE1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL18124367 0.88 ACHE (0.55) ACHEBCHEBACE1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1373403 0.88 ACHE (0.55) ACHEBCHEBACE1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL18124366 0.88 ACHE (0.55) ACHEBCHEBACE1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1373406 0.88 ACHE (0.55) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL14302515 0.88 ACHE (0.58) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL12424416 0.88 ACHE (0.58) ACHEBCHEBACE1CYP1A2CYP3A4

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 7 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
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 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 ACHE 1368/4885BCHE 696/4885BACE1 132/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ACHE 1524/4885BCHE 982/4885BACE1 86/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ACHE 1064/4885BCHE 723/4885BACE1 52/4885

“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.