SCHEMBL8415326

SCHEMBL8415326

CC1(CBr)CCN(c2ccccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.44
HTR1A P08908 4/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
DRD2 P14416 5/20 0.42
DRD4 P21917 7/20 0.41
GRM5 P41594 1/20 0.41
DRD3 P35462 2/20 0.41
AR P10275 2/20 0.39
ADRA1D P25100 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 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
SCHEMBL8414814 0.85 PTPN11 (0.50) HTR7HTR1AADRA1AADRA1BDRD2
SCHEMBL8415329 0.85 DRD4 (0.47) HTR7HTR1AADRA1AADRA1BDRD2
SCHEMBL17871760 0.79 GRM5 (0.46) HTR7HTR1AADRA1AADRA1BDRD2
SCHEMBL8275914 0.77 HTR1A (0.46) HTR7HTR1AADRA1AADRA1BDRD2
SCHEMBL3088832 0.76 DRD4 (0.54) HTR7HTR1AADRA1AADRA1BDRD2
SCHEMBL12126933 0.75 DRD2 (0.43) HTR7HTR1AADRA1AADRA1BDRD2
SCHEMBL829177 0.73 AR (0.65) HTR1AADRA1AADRA1BDRD2DRD4
SCHEMBL30406641 0.73 AR (0.59) HTR1AADRA1AADRA1BDRD2DRD4
SCHEMBL10481994 0.72 SLC6A2 (0.43) HTR7HTR1AADRA1AADRA1BDRD2
SCHEMBL31432900 0.72 GRM5 (0.46) HTR7HTR1AADRA1AADRA1BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HTR7 4310/4885HTR1A 4466/4885ADRA1A 3961/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF HTR7 3965/4885HTR1A 4159/4885ADRA1A 3239/4885

“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.