SCHEMBL4425525

SCHEMBL4425525

Cc1ccc(C2NCC3CNCC32)cc1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
ADRB1 P08588 1/20 0.30

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
SCHEMBL25558703 0.75 SLC6A2 (0.49) HTR2CHTR2AHTR2BSLC6A2SLC6A3
SCHEMBL27988904 0.75 TACR1 (0.35) HTR2CHTR2AHTR2BKCNH2
SCHEMBL2030993 0.74 GBA1 (0.47) HTR2CHTR2AHTR2BKCNH2
SCHEMBL18724604 0.69 HTR2A (0.43) HTR2CHTR2AHTR2BSLC6A2SLC6A3
SCHEMBL27900631 0.69 SSTR4 (0.32)
SCHEMBL8640763 0.66 HTR3A (0.55) HTR2CHTR2AHTR2BSLC6A2SLC6A3
SCHEMBL2709718 0.65 HTR2C (0.59) HTR2C
SCHEMBL6965088 0.65 HTR2A (0.37) HTR2CHTR2AHTR2BSLC6A2SLC6A3
SCHEMBL9786097 0.65 HTR2A (0.37) HTR2CHTR2AHTR2BSLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4881862 0.63 HTR2C (0.61) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US claimed
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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 (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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 HTR2C 570/4885HTR2A 483/4885HTR2B 105/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 HTR2C 660/4885HTR2A 806/4885HTR2B 286/4885

“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.