SCHEMBL5599396

SCHEMBL5599396

CCC(CO)Nc1cc(C)nc2c(-c3c(C)cc(C)cc3C)cccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.53
NR4A2 P43354 3/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.38
CD38 P28907 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL5599426 0.93 CRHR1 (0.57) CRHR1NR4A2MEN1KMT2ATP53
SCHEMBL5599563 0.85 NR4A2 (0.50) CRHR1NR4A2TP53CD38
SCHEMBL5707856 0.84 CRHR1 (0.46) CRHR1NR4A2MEN1KMT2ATP53
SCHEMBL7077097 0.79 CRHR1 (0.59) CRHR1NR4A2MEN1KMT2ATP53
SCHEMBL5790387 0.79 CRHR1 (0.43) CRHR1
SCHEMBL7609276 0.78 CRHR1 (0.56) CRHR1MEN1KMT2AKDM4E
SCHEMBL5599813 0.78 CRHR1 (0.53) CRHR1KDM4E
SCHEMBL6950666 0.76 CRHR1 (0.42) CRHR1MEN1KMT2AMAPTKDM4E
SCHEMBL6094492 0.76 CRHR1 (0.56) CRHR1NR4A2MEN1KMT2ATP53
SCHEMBL7615502 0.75 CRHR1 (0.60) CRHR1MEN1KMT2AKDM4E

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 35 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
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions HAMANAKA ERNEST S (US) 2003-10-23 US claimed
EP-0977737-B1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP 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-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
US-20050209250-A1 Therapeutic combinations of atypical antipsychotics with corticotropin releasing factor antagonists PFIZER INC 2005-09-22 US disclosed
EP-1097709-A2 Use of corticotropin releasing factor antagonists for treating syndrome X Pfizer Products Inc. (US) 2001-05-09 EP disclosed
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 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 (5 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 5/4885NR4A2 1262/4885MEN1 2681/4885
US-20020156089-A1 Use of CRF antagonists and related compositions CRH, CRHR1, CRHR2 CRHR1 2/4885NR4A2 125/4885MEN1 2812/4885
US-20010041673-A1 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues CRH, GHSR, GHRHR CRHR1 4/4885NR4A2 826/4885MEN1 395/4885
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions CRH, CRHR1, CRHR2 CRHR1 2/4885NR4A2 540/4885MEN1 462/4885
US-20040082597-A1 Use of CRF antagonists and related compositions CRH, CRHR1, CRHR2 CRHR1 2/4885NR4A2 125/4885MEN1 2812/4885

“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.