SCHEMBL408946

SCHEMBL408946

CCN(CC)CCCN=C=N

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
SIGMAR1 Q99720 1/20 0.31

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 SCHEMBL4790313 0.98 NPSR1 (0.39) NPSR1CYP1A2CYP2D6
SCHEMBL3909851 0.91 NAAA (0.34) NPSR1CYP1A2CYP2D6SIGMAR1
SCHEMBL6668505 0.86 NPSR1 (0.31) NPSR1
SCHEMBL10406934 0.80 CYP1A2 (0.41) CYP1A2CYP2D6
SCHEMBL988586 0.77 NAAA (0.52) NPSR1CYP1A2CYP2D6
SCHEMBL301678 0.76
SCHEMBL97249 0.76 CYP1A2 (0.67) NPSR1CYP1A2CYP2D6
Carbimide SCHEMBL8927383 0.74 CYP1A2 (0.54) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL248532 0.74 CYP1A2 (0.54) CYP1A2CYP2D6
Ethane SCHEMBL8026831 0.74 CYP1A2 (0.54) 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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146245-A1 COMPOSITION FOR DIAGNOSING TUBERCULOSIS BY USING BIOMARKER, AND TUBERCULOSIS DIAGNOSTIC METHOD AND KIT USING SAME 주식회사 더다봄 2023-08-03 WO disclosed
CN-108653728-B Techniques for predicting, detecting, and reducing non-specific protein interference in assays involving immunoglobulin single variable domains 埃博灵克斯股份有限公司 2022-11-18 CN disclosed
CN-108663504-B Techniques for predicting, detecting, and reducing non-specific protein interference in assays involving immunoglobulin single variable domains ABLYNX N.V. (BE) 2021-06-22 CN disclosed
US-10449261-B2 Compositions targeting radiation-induced molecules and methods of use thereof WASHINGTON UNIVERSITY (US) 2019-10-22 US disclosed
US-10226481-B2 Pharmaceutical compositions composed of low molecular weight sulfated hyaluronan UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2019-03-12 US disclosed
EP-2688402-B1 MEANS FOR TREATING OR PREVENTING UROLOGICAL INFLAMMATION UNIV UTAH RES FOUND (US) 2018-10-24 EP disclosed
CN-108659120-A Technology for predicting, detecting and reducing the nonspecific proteins being related in the measuring method of immunoglobulin (Ig) list variable domains interference 埃博灵克斯股份有限公司 2018-10-16 CN disclosed
CN-108653728-A Technology for predicting, detecting and reducing the nonspecific proteins being related in the measuring method of immunoglobulin (Ig) list variable domains interference 埃博灵克斯股份有限公司 2018-10-16 CN disclosed
CN-108659121-A Technology for predicting, detecting and reducing the nonspecific proteins being related in the measuring method of immunoglobulin (Ig) list variable domains interference 埃博灵克斯股份有限公司 2018-10-16 CN disclosed
CN-108663504-A Techniques for predicting, detecting, and reducing non-specific protein interference in assays involving immunoglobulin single variable domains 埃博灵克斯股份有限公司 2018-10-16 CN disclosed
WO-2002014261-A2 4-SUBSTITUTED D-GLUTAMIC ACID DERIVATIVES FOR USE AS ANTIBIOTIC ELI LILLY AND COMPANY (US) 2002-02-21 WO disclosed
US-5831012-A HEAT STABLITY, MUTAGENESIS PHARMACIA & UPJOHN AKTIEBOLAG (SE) 1998-11-03 US disclosed
EP-0777497-A4 HUMAN NEUTRALIZING MONOCLONAL ANTIBODIES TO HUMAN IMMUNODEFICIENCY VIRUS SCRIPPS RESEARCH INST (US) 1998-01-07 EP disclosed
EP-0586537-A4 SUBSTITUTED N-CARBOXYALKYLPEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO INC (US) 1997-06-25 EP disclosed
EP-0777497-A1 HUMAN NEUTRALIZING MONOCLONAL ANTIBODIES TO HUMAN IMMUNODEFICIENCY VIRUS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-06-11 EP disclosed
WO-1996002273-A9 HUMAN NEUTRALIZING MONOCLONAL ANTIBODIES TO HUMAN IMMUNODEFICIENCY VIRUS 1996-04-04 WO disclosed
WO-1996002273-A1 HUMAN NEUTRALIZING MONOCLONAL ANTIBODIES TO HUMAN IMMUNODEFICIENCY VIRUS THE SCRIPPS RESEARCH INSTITUTE (US) 1996-02-01 WO disclosed
EP-0586537-A1 SUBSTITUTED N-CARBOXYALKYLPEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO. INC. (US) 1994-03-16 EP disclosed
WO-1989004672-A1 DERIVATIVES OF LINCOSAMINIDE ANTIBIOTICS THE UPJOHN COMPANY (US) 1989-06-01 WO disclosed
US-4293557-A AMIDES TEIKOKU HORMONE MFG. CO., LTD. (JP) 1981-10-06 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-10449261-B2 Compositions targeting radiation-induced molecules and methods of use thereof HSP90B1, HSPBP1, HSP90AB1 NPSR1 1663/4885CYP1A2 4832/4885CYP2D6 4783/4885
US-10226481-B2 Pharmaceutical compositions composed of low molecular weight sulfated hyaluronan CD44, HPSE, CSGALNACT1 NPSR1 334/4885CYP1A2 3301/4885CYP2D6 2331/4885

“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.