SCHEMBL8218700

SCHEMBL8218700

CCC1(c2ccccc2)CCCN1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
PARP1 P09874 1/20 0.45
OPRM1 P35372 11/20 0.39
OPRD1 P41143 11/20 0.39
OPRK1 P41145 11/20 0.39
OPRL1 P41146 11/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
APEX1 P27695 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13543953 0.78 OPRM1 (0.41) CYP2D6OPRM1OPRD1OPRK1MEN1
SCHEMBL4100968 0.75 CYP2D6 (0.47) CYP2D6PARP1OPRM1OPRD1OPRK1
SCHEMBL26206626 0.70 CYP2D6 (0.42) CYP2D6PARP1OPRM1OPRD1OPRK1
SCHEMBL23064596 0.70 NPSR1 (0.36) OPRM1OPRD1OPRK1OPRL1SMN1; SMN2
SCHEMBL13330404 0.69 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1
SCHEMBL902468 0.69 SLC6A4 (0.36) CYP2D6OPRM1OPRD1MEN1CYP1A2
SCHEMBL9960510 0.69 MEN1 (0.44) OPRM1OPRD1OPRK1SMN1; SMN2MEN1
SCHEMBL8416690 0.67 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1
SCHEMBL8221272 0.66 TSHR (0.42) OPRM1OPRD1OPRK1TSHR
SCHEMBL28159048 0.66 AKR1C1 (0.45) CYP2D6OPRM1OPRD1SMN1; SMN2MEN1

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
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-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 CYP2D6 2024/4885PARP1 1825/4885OPRM1 4080/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF CYP2D6 2006/4885PARP1 1311/4885OPRM1 2806/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 CYP2D6 983/4885PARP1 2641/4885OPRM1 2369/4885

“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.