SCHEMBL4582837

SCHEMBL4582837

Cc1ccc(-c2cnc(N3CCNCC3)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
HTR1D P28221 2/20 0.54
HTR1B P28222 2/20 0.54
HTR7 P34969 2/20 0.54
HTR2B P41595 2/20 0.54
HTR6 P50406 2/20 0.54
HTR5A P47898 1/20 0.54
ADRB1 P08588 1/20 0.53
HTR2A P28223 1/20 0.49
HTR3A P46098 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
SLC6A7 Q99884 1/20 0.43
BPTF Q12830 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42

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
SCHEMBL9400849 0.83 HTR3A (0.54) HTR1AHTR1DHTR7HTR2BHTR6
SCHEMBL6787637 0.83 HTR7 (0.54) HTR1AHTR1DHTR7HTR2BHTR6
SCHEMBL4582832 0.83 TAAR1 (0.49) ADRB1TAAR1ALDH1A1KDM4ECHRNB2
SCHEMBL9400977 0.83 TAAR1 (0.64) HTR1AHTR7HTR2BHTR6HTR5A
SCHEMBL9400910 0.83 TGFBR1 (0.58) HTR1AHTR1DHTR1BHTR7HTR2B
SCHEMBL7991455 0.82 ALDH1A1 (0.59) HTR1AHTR1DHTR1BHTR7HTR2B
Hydrochloric Acid SCHEMBL20293632 0.82 HTR7 (0.52) HTR1AHTR1DHTR7HTR2BHTR6
Hydrochloric Acid SCHEMBL6786943 0.82 HTR7 (0.52) HTR1AHTR1DHTR7HTR2BHTR6
Hydrochloric Acid SCHEMBL20293649 0.82 HTR3A (0.52) HTR1AHTR1DHTR7HTR2BHTR6
SCHEMBL4582036 0.81 ADRB1 (0.54) HTR1AHTR1DHTR1BHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 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 (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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB HTR1A 2022/4885HTR1D 3381/4885HTR1B 2116/4885

“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.