SCHEMBL13778404

SCHEMBL13778404

Cc1cncc2c1CCCO2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.33
HTR2A P28223 7/20 0.33
HTR1A P08908 6/20 0.33
HTR1D P28221 5/20 0.33
ACHE P22303 4/20 0.33
HTR2B P41595 7/20 0.33
HTR6 P50406 2/20 0.33
HTR4 Q13639 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR1B P28222 1/20 0.33
HTR7 P34969 1/20 0.33
MTNR1A P48039 2/20 0.30
MTNR1B P49286 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
SCHEMBL15957562 0.90 MAOA (0.33)
SCHEMBL27192111 0.78 ACHE (0.40) HTR2CHTR2AHTR1AHTR1DACHE
SCHEMBL3669317 0.78 ACHE (0.33) HTR2CHTR2AHTR1AHTR1DACHE
SCHEMBL31509884 0.78 ACHE (0.40) HTR2CHTR2AHTR1AHTR1DACHE
SCHEMBL25799307 0.78 HTR2C (0.35) HTR2CHTR2AHTR1AHTR1DACHE
SCHEMBL30718710 0.74 ERN1 (0.31) ACHE
SCHEMBL27141554 0.74 ACHE (0.31) ACHE
SCHEMBL27143137 0.74 ERN1 (0.31) ACHE
SCHEMBL14644330 0.73 ACHE (0.32) HTR2CHTR2AHTR1AHTR1DACHE
SCHEMBL7402188 0.73 SMN1; SMN2 (0.42) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 HTR2C 2502/4885HTR2A 3180/4885HTR1A 1990/4885

“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.