SCHEMBL4700352

SCHEMBL4700352

NC(=O)c1ccc(CCN2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.63
ADRA1A P35348 1/20 0.63
ADRA1B P35368 1/20 0.63
HTR1A P08908 6/20 0.60
HTR7 P34969 6/20 0.60
DRD2 P14416 5/20 0.60
HTR2A P28223 5/20 0.60
DRD3 P35462 5/20 0.60
DRD4 P21917 4/20 0.60
POLB P06746 1/20 0.60
HTR2C P28335 3/20 0.58
ADRA2C P18825 1/20 0.57
DRD1 P21728 1/20 0.57
DRD5 P21918 1/20 0.57
HRH1 P35367 1/20 0.57
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL1509630 0.83 HTR1A (0.83) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL6427613 0.80 CHEK2 (0.64) HTR1AHTR7DRD2HTR2ADRD3
SCHEMBL3674700 0.78 HTR1A (0.72) HTR1AHTR7DRD2HTR2ADRD3
SCHEMBL13711971 0.77 KCNH2 (0.71) HTR1AHTR7DRD2HTR2ADRD3
SCHEMBL28972653 0.76 POLB (0.60) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL4405017 0.76 THRB (0.65) HTR1ADRD2DRD3DRD4POLB
SCHEMBL4699834 0.76 SIGMAR1 (0.50) HTR7HTR2AHTR2CCYP1A2CYP2D6
SCHEMBL4700447 0.76 TSHR (0.48) HTR7HTR2AHTR2CSIGMAR1
SCHEMBL6644138 0.75 HRH3 (0.58) HTR7HTR2AHTR2CCYP1A2CYP3A4
SCHEMBL27237006 0.75 HTR1A (1.00) ADRA1DADRA1AADRA1BHTR1AHTR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
EP-1960382-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2008-08-27 EP disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 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 (1 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 ADRA1D 4373/4885ADRA1A 4145/4885ADRA1B 4238/4885

“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.