SCHEMBL1344052

SCHEMBL1344052

N#Cc1ccc2c(ccc3ccccc32)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CYP1B1 Q16678 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP1A1 P04798 1/20 0.61
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 2/20 0.54
HIF1A Q16665 1/20 0.54
HPRT1 P00492 3/20 0.52
CYP2A6 P11509 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 2/20 0.47
PDPK1 O15530 1/20 0.47
ENPP3 O14638 1/20 0.46
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44

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
SCHEMBL12320895 0.98 CA1 (0.65) CA1CA2CYP1B1CYP1A2CYP1A1
SCHEMBL12310187 0.98 CA1 (0.65) CA1CA2CYP1B1CYP1A2CYP1A1
SCHEMBL29131409 0.90 CA1 (0.65) CA1CA2CYP1B1CYP1A2CYP1A1
SCHEMBL3632654 0.90 CA1 (0.65) CA1CA2CYP1B1CYP1A2CYP1A1
SCHEMBL1343465 0.89 CA1 (0.69) CA1CA2CYP1B1CYP1A2CYP1A1
SCHEMBL13037656 0.89 CA2 (0.55) CA1CA2CYP1B1CYP1A2CYP1A1
SCHEMBL28174467 0.87 CA1 (0.50) CA1CA2CYP1B1CYP1A2CYP1A1
SCHEMBL12320904 0.87 CA2 (0.53) CA1CA2CYP1B1CYP1A2CYP1A1
SCHEMBL12310183 0.87 CA2 (0.53) CA1CA2CYP1B1CYP1A2CYP1A1
SCHEMBL17489608 0.86 CA1 (0.56) CA1CA2CYP1B1CYP1A2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066397-A Compounds comprising anti-inflammatory pharmacophores and methods of use REATA PHARMACEUTICALS INC 2011-05-18 CN claimed
US-7166593-B2 Glucocorticoid receptor modulators PFIZER, INC. (US) 2007-01-23 US claimed
US-20040176595-A1 Glucocorticoid receptor modulators PFIZER, INC. 2004-09-09 US claimed
US-6699893-B2 DIETETICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATROY AGENTS PFIZER INC 2004-03-02 US claimed
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions HAMANAKA ERNEST S (US) 2003-10-23 US claimed
US-20020147336-A1 Glucocorticoid receptor modulators DOW ROBERT L (US) 2002-10-10 US claimed
EP-1175383-A1 GLUCOCORTICOID RECEPTOR MODULATORS Pfizer Products Inc. (US) 2002-01-30 EP claimed
EP-1097709-A2 Use of corticotropin releasing factor antagonists for treating syndrome X Pfizer Products Inc. (US) 2001-05-09 EP claimed
WO-2000066522-A1 GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2000-11-09 WO claimed
CN-118772223-A Compositions and methods for treating central nervous system disorders 萨奇治疗股份有限公司 2024-10-15 CN disclosed
CN-111741965-B Compositions and methods for treating central nervous system disorders 萨奇治疗股份有限公司 2024-06-25 CN disclosed
WO-2023280246-A1 ORGANIC COMPOUND AND APPLICATION THEREOF IN ORGANIC ELECTRONIC DEVICE 浙江光昊光电科技有限公司 2023-01-12 WO disclosed
WO-2021135841-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND AROMATIC COMPOUND CONTAINING FUSED-RING 广州华睿光电材料有限公司 2021-07-08 WO disclosed
CN-110003203-A A kind of method of synthesis 2- acetyl group -1,10- ferrosin (3) 北京燕联化工技术有限公司 2019-07-12 CN disclosed
US-6589947-B1 Treatment or prevention of Syndrome X in an animal, preferably a mammal including a human subject or a companion animal, using a corticotropin releasing factor (CRF) antagonist alone or together with a glucocorticoid receptor antagonist. PFIZER INC. 2003-07-08 US disclosed
US-20020147336-A1 Glucocorticoid receptor modulators DOW ROBERT L (US) 2002-10-10 US disclosed
US-6380223-B1 FOR THERAPY OF DISEASES, SUCH AS OBESITY, DIABETES, INFLAMMATION PFIZER INC. 2002-04-30 US disclosed
EP-1175383-A1 GLUCOCORTICOID RECEPTOR MODULATORS Pfizer Products Inc. (US) 2002-01-30 EP disclosed
EP-1097709-A2 Use of corticotropin releasing factor antagonists for treating syndrome X Pfizer Products Inc. (US) 2001-05-09 EP disclosed
WO-2000066522-A1 GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2000-11-09 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 (3 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-20040176595-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R CA1 4667/4885CA2 3983/4885CYP1B1 497/4885
US-20020147336-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R CA1 4665/4885CA2 4001/4885CYP1B1 496/4885
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions CRH, CRHR1, CRHR2 CA1 1012/4885CA2 1316/4885CYP1B1 4847/4885

“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.