SCHEMBL5599412

SCHEMBL5599412

CCCCN(CC)c1nc(C)nc2c1CC(C)C(=O)N2c1c(C)cc(C)cc1C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.51
FPR3 P25089 2/20 0.49
TSPO P30536 2/20 0.49
TMEM97 Q5BJF2 2/20 0.49
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL5600181 0.92 CRHR1 (0.43) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5707842 0.92 CRHR1 (0.43) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5844050 0.85 CRHR1 (0.55) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5600368 0.84 CRHR1 (0.54) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5600404 0.83 CRHR1 (0.53) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5845362 0.77 CRHR1 (0.56) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5600475 0.76 CRHR1 (0.46) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL5599808 0.76 CRHR1 (0.53) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL6303126 0.75 KDM4E (0.33) CRHR1
SCHEMBL5845311 0.75 CRHR1 (0.50) CRHR1FPR3TSPOTMEM97TDP1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007522200-A 2007-08-09 JP claimed
EP-1718311-A1 THERAPEUTIC COMBINATIONS OF ATYPICAL ANTIPSYCHOTICS WITH CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Incorporated (US) 2006-11-08 EP claimed
US-20050209250-A1 Therapeutic combinations of atypical antipsychotics with corticotropin releasing factor antagonists PFIZER INC 2005-09-22 US claimed
WO-2005079807-A1 THERAPEUTIC COMBINATIONS OF ATYPICAL ANTIPSYCHOTICS WITH CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-09-01 WO claimed
US-20040082597-A1 Use of CRF antagonists and related compositions PFIZER INC 2004-04-29 US claimed
EP-0925298-B1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER (US) 2004-04-14 EP claimed
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions HAMANAKA ERNEST S (US) 2003-10-23 US claimed
US-20030114671-A1 Substituted6,6-hetero-bicyclicderivatives CHEN YUHPYNG L (US) 2003-06-19 US claimed
US-20020156089-A1 Use of CRF antagonists and related compositions PFIZER INC. 2002-10-24 US claimed
US-6432989-B1 TREATING SLEEP DISORDERS PFIZER INC 2002-08-13 US claimed
US-20010041673-A1 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues PFIZER INC. 2001-11-15 US claimed
EP-1149583-A2 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues Pfizer Products Inc. (US) 2001-10-31 EP claimed
EP-1097709-A2 Use of corticotropin releasing factor antagonists for treating syndrome X Pfizer Products Inc. (US) 2001-05-09 EP claimed
EP-1082960-A2 Use of CRF antagonists and related compositions for treating depression and modifying the circadian rhytm Pfizer Products Inc. (US) 2001-03-14 EP claimed
EP-0925298-A1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1999-06-30 EP claimed
WO-1998008846-A1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1998-03-05 WO claimed
EP-1718311-A1 THERAPEUTIC COMBINATIONS OF ATYPICAL ANTIPSYCHOTICS WITH CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Incorporated (US) 2006-11-08 EP disclosed
EP-1703918-A2 COMBINATION OF CRF ANTAGONISTS AND 5-HT 1B RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2006-09-27 EP disclosed
EP-0925298-A1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1999-06-30 EP disclosed
WO-1998008846-A1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1998-03-05 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 (6 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-20050209250-A1 Therapeutic combinations of atypical antipsychotics with corticotropin releasing factor antagonists CRH, MC2R, CRHR2 CRHR1 5/4885FPR3 752/4885TSPO 1914/4885
US-20020156089-A1 Use of CRF antagonists and related compositions CRH, CRHR1, CRHR2 CRHR1 2/4885FPR3 410/4885TSPO 1398/4885
US-20010041673-A1 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues CRH, GHSR, GHRHR CRHR1 4/4885FPR3 517/4885TSPO 2725/4885
US-20030114671-A1 Substituted6,6-hetero-bicyclicderivatives CYP2D6, CYP2B6, CYP2A6 CRHR1 2119/4885FPR3 2593/4885TSPO 4272/4885
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions CRH, CRHR1, CRHR2 CRHR1 2/4885FPR3 70/4885TSPO 1728/4885
US-20040082597-A1 Use of CRF antagonists and related compositions CRH, CRHR1, CRHR2 CRHR1 2/4885FPR3 410/4885TSPO 1398/4885

“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.