SCHEMBL5843758

SCHEMBL5843758

CCC(CC)Oc1nc(C)nc(Nc2c(C)cc(C)cc2C)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
CRHR1 P34998 6/20 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
SCHEMBL5845661 0.90 CRHR1 (0.41) LMNAGAACRHR1
SCHEMBL27584914 0.83 FFAR2 (0.31) CRHR1
SCHEMBL5844195 0.81 CRHR1 (0.49) LMNAGAACRHR1
SCHEMBL5843491 0.81 CRHR1 (0.40) CRHR1
SCHEMBL5843602 0.81 CRHR1 (0.40) CRHR1
SCHEMBL5844423 0.81 CRHR1 (0.41) CRHR1
SCHEMBL5842985 0.81 CRHR1 (0.41) CRHR1
SCHEMBL5843917 0.80 CRHR1 (0.58) LMNAGAACRHR1
SCHEMBL5842869 0.79 CRHR1 (0.41) CRHR1
SCHEMBL5843931 0.78 CRHR1 (0.38) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590158-B2 Total synthesis of shishijimicin A and analogs thereof WILLIAM MARSH RICE UNIVERSITY (US) 2020-03-17 US disclosed
US-20180327439-A1 TOTAL SYNTHESIS OF SHISHIJIMICIN A AND ANALOGS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2018-11-15 US disclosed
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
EP-0967217-B1 Reagents and methods for solid phase synthesis and display AFFYMETRIX INC (US) 2005-12-21 EP 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-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US disclosed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 WO disclosed
EP-0363589-A2 Somatostatin analogues SYNTEX (U.S.A.) INC. (US) 1990-04-18 EP 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 (4 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-10590158-B2 Total synthesis of shishijimicin A and analogs thereof SYK, UGT1A7, FCGRT LMNA 4587/4885GAA 515/4885CRHR1 4433/4885
US-20180327439-A1 TOTAL SYNTHESIS OF SHISHIJIMICIN A AND ANALOGS THEREOF SYK, UGT1A7, FCGRT LMNA 4587/4885GAA 515/4885CRHR1 4433/4885
US-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 LMNA 4189/4885GAA 2029/4885CRHR1 3/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 LMNA 4152/4885GAA 1321/4885CRHR1 3/4885

“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.