SCHEMBL4772805

SCHEMBL4772805

CC(N)Cc1ncccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.41
PAX8 Q06710 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CTSB P07858 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41

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
SCHEMBL2133786 0.81 CYP1A2 (0.46) PDE10AALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8385464 0.78 PDE10A (0.51) PDE10AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9986678 0.78 PDE10A (0.51) PDE10AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30425516 0.78 PDE10A (0.51) PDE10AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8566533 0.76 ALDH1A1 (0.53) PDE10AALDH1A1MEN1KMT2APOLB
SCHEMBL9591091 0.76 PKM (0.52) PDE10AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31392522 0.76 ALDH1A1 (0.57) PDE10AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29897585 0.75 PDE10A (0.51) PDE10AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13953406 0.75 PDE10A (0.51) PDE10AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1737478 0.75 PDE10A (0.51) PDE10AALDH1A1MEN1KMT2ASMN1; SMN2

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
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP disclosed
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 PDE10A 2159/4885ALDH1A1 4042/4885MEN1 4152/4885

“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.