SCHEMBL4648931

SCHEMBL4648931

CCN=C=NCCC(N)(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 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
Hydrochloric Acid SCHEMBL4485364 0.98 CYP1A2 (0.39) CYP1A2CYP2D6
Water SCHEMBL27520041 0.78 CYP1A2 (0.41) CYP1A2CYP2D6
SCHEMBL28862327 0.78 CYP1A2 (0.41) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL221473 0.78 CYP1A2 (0.41) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL20817034 0.78 CYP1A2 (0.41) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL28158071 0.77 CYP1A2 (0.39) CYP1A2CYP2D6
SCHEMBL6952064 0.76 NAAA (0.41)
SCHEMBL6949604 0.76
SCHEMBL28003206 0.76
SCHEMBL9499335 0.75 CYP1A2 (0.38) CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10443026-B2 Polygonal scaffold and manufacturing method thereof, and protein modulator and manufacturing method thereof NATIONAL TSING HUA UNIVERSITY (TW) 2019-10-15 US disclosed
CN-110049983-A Medical compounds 细胞中心有限公司 2019-07-23 CN disclosed
CN-110036002-A Medical compounds 细胞中心有限公司 2019-07-19 CN disclosed
US-20190194590-A1 POLYGONAL SCAFFOLD AND MANUFACTURING METHOD THEREOF, AND PROTEIN MODULATOR AND MANUFACTURING METHOD THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2019-06-27 US disclosed
CN-105163733-A Furanone compounds as kinase inhibitors ETERNITY BIOSCIENCE INC 2015-12-16 CN disclosed
EP-0724651-B1 SYNTHETIC HUMAN NEUTRALIZING MONOCLONAL ANTIBODIES TO HUMAN IMMUNODEFICIENCY VIRUS SCRIPPS RESEARCH INST (US) 2008-08-20 EP disclosed
US-6960560-B2 Iron chelator delivery system GWATHMEY, INC. (US) 2005-11-01 US disclosed
US-20050048070-A1 Cancer-associated epitope SCRIPPS RESEARCH INSTITUTE, THE 2005-03-03 US disclosed
EP-1461001-A2 CANCER-ASSOCIATED EPITOPE The Scripps Research Institute (US) 2004-09-29 EP disclosed
WO-2003057168-A2 CANCER-ASSOCIATED EPITOPE THE SCRIPPS RESEARCH INSTITUTE (US) 2003-07-17 WO disclosed
US-6395275-B1 REDUCES TITER BY 50% IN AN IN VITRO ASSAY; DIAGNOSIS AND IMMUNOTHERAPY THE SCRIPPS RESEARCH INSTITUTE 2002-05-28 US disclosed
US-20010033860-A1 Iron chelator delivery system GWATHMEY, INC. 2001-10-25 US disclosed
US-6261558-B1 IMMUNOTHERAPY; DIAGNOSIS THE SCRIPPS RESEARCH INSTITUTE 2001-07-17 US disclosed
WO-2001049266-A2 IRON CHELATOR DELIVERY SYSTEM GWATHEMY JUDITH K (US) 2001-07-12 WO disclosed
US-5962634-A PEPTIDE OF 6 TO 25 AMINO ACIDS WHICH MODULATES IMMUNOGLOBULIN E BINDING TO FC EPSILON RECEPTOR 1; FOR TREATMENT AND PROPHYLAXIS OF GRAFT VS HOST DISEASE, ALLERGIC RHINITIS, FOOD ALLERGIES, ATROPIC DERMATITIS, AND ALLERGIC ASTHMA THOMAS JEFFERSON UNIVERSITY (US) 1999-10-05 US disclosed
EP-0724651-A4 SYNTHETIC HUMAN NEUTRALIZING MONOCLONAL ANTIBODIES TO HUMAN IMMUNODEFICIENCY VIRUS SCRIPPS RESEARCH INST (US) 1998-11-04 EP disclosed
EP-0724651-A1 SYNTHETIC HUMAN NEUTRALIZING MONOCLONAL ANTIBODIES TO HUMAN IMMUNODEFICIENCY VIRUS THE SCRIPPS RESEARCH INSTITUTE (US) 1996-08-07 EP disclosed
WO-1996001643-A1 IgE ANTAGONISTS THOMAS JEFFERSON UNIVERSITY (US) 1996-01-25 WO disclosed
WO-1995011317-A1 SYNTHETIC HUMAN NEUTRALIZING MONOCLONAL ANTIBODIES TO HUMAN IMMUNODEFICIENCY VIRUS THE SCRIPPS RESEARCH INSTITUTE (US) 1995-04-27 WO disclosed
US-4043818-A Process for hardening photographic layers with carbodiimide compounds containing sulphobetaine groups AGFA-GEVAERT, A.G. (DT) 1977-08-23 US 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 (2 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-20190194590-A1 POLYGONAL SCAFFOLD AND MANUFACTURING METHOD THEREOF, AND PROTEIN MODULATOR AND MANUFACTURING METHOD THEREOF PPIA, PPIH, FKBP1A CYP1A2 3805/4885CYP2D6 4137/4885
US-10443026-B2 Polygonal scaffold and manufacturing method thereof, and protein modulator and manufacturing method thereof PPIA, PPIH, FKBP1A CYP1A2 4091/4885CYP2D6 4295/4885

“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.