SCHEMBL5527596

SCHEMBL5527596

CCCCCC1c2ccccc2CCN1CC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.48
OPRK1 P41145 4/20 0.48
PRCP P42785 1/20 0.41
HDAC8 Q9BY41 3/20 0.41
MTNR1B P49286 1/20 0.41
OPRD1 P41143 1/20 0.40
CYP2D6 P10635 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
NCOR2 Q9Y618 2/20 0.38

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
SCHEMBL12126117 0.83 PRCP (0.55) OPRM1OPRK1PRCPCYP2D6
SCHEMBL4880438 0.83 HCRTR1 (0.51) OPRM1OPRK1HDAC8HCRTR1HCRTR2
SCHEMBL29159488 0.82 OPRM1 (0.54) OPRM1OPRK1PRCPHDAC8CYP2D6
SCHEMBL12124978 0.79 PRCP (0.56) OPRM1OPRK1PRCPCYP2D6
SCHEMBL11784786 0.78 MTNR1B (0.48) OPRM1OPRK1MTNR1BOPRD1CYP2D6
SCHEMBL14417432 0.75 OPRM1 (0.48) OPRM1OPRK1PRCPOPRD1CYP2D6
SCHEMBL12125928 0.73 PRCP (0.59) OPRM1OPRK1PRCPMTNR1BOPRD1
SCHEMBL9541988 0.73 OPRM1 (0.53) OPRM1OPRK1PRCPHDAC8CYP2D6
SCHEMBL8820261 0.72 OPRM1 (0.50) OPRM1OPRK1PRCPOPRD1
SCHEMBL8560553 0.72 OPRM1 (0.49) OPRM1OPRK1PRCPHDAC8MTNR1B

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-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 US disclosed
EP-1322309-A4 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2004-10-13 EP disclosed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US disclosed
EP-1322309-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2003-07-02 EP disclosed
WO-2002049993-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-06-27 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 (1 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-20070027158-A1 High affinity small molecule C5a receptor modulators C3AR1, C5AR1, C5AR2 OPRM1 135/4885OPRK1 286/4885PRCP 1950/4885

“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.