SCHEMBL5843301

SCHEMBL5843301

CCC(CC)Nc1cc(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.41
CRHR1 P34998 2/20 0.40
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 3/20 0.33
NPC1 O15118 2/20 0.33
GLP1R P43220 1/20 0.33
MEN1 O00255 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL5843957 0.92 MAPT (0.46) HCAR3CRHR1MAPTL3MBTL1LMNA
SCHEMBL5845050 0.91 CRHR1 (0.37) HCAR3CRHR1MAPTL3MBTL1LMNA
SCHEMBL7480436 0.90 HCAR3 (0.34) HCAR3CRHR1MAPTL3MBTL1LMNA
SCHEMBL7479132 0.89 CRHR1 (0.36) HCAR3CRHR1MAPTL3MBTL1LMNA
Hydrochloric Acid SCHEMBL7624850 0.84 LMNA (0.34) HCAR3CRHR1MAPTL3MBTL1LMNA
SCHEMBL23530034 0.84 NR4A2 (0.43) HCAR3MAPTL3MBTL1LMNATDP1
SCHEMBL7222310 0.81 LMNA (0.33) HCAR3MAPTL3MBTL1LMNATDP1
SCHEMBL7224417 0.81 LMNA (0.33) HCAR3MAPTL3MBTL1LMNATDP1
SCHEMBL413683 0.79 MAPT (0.50) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL5844044 0.79 CRHR1 (0.57) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
US-6448261-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-10 US disclosed
EP-0935601-A4 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARM CO (US) 2002-08-07 EP disclosed
EP-0764166-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER (US) 2000-09-13 EP disclosed
US-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed
US-5962479-A Corticotropin releasing factor antagonists PFIZER INC. (US) 1999-10-05 US disclosed
EP-0935601-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 1999-08-18 EP disclosed
WO-1997035539-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO disclosed
EP-0764166-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1997-03-26 EP disclosed
WO-1995033750-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1995-12-14 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-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 HCAR3 360/4885CRHR1 3/4885MAPT 1457/4885

“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.