SCHEMBL15112869

SCHEMBL15112869

CO[C@H]1C[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1CNCC2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 4/20 0.37
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL15104993 0.87 C5AR1 (0.35) C5AR1HTR2AHTR2CHTR2B
SCHEMBL15104992 0.87 C5AR1 (0.35) C5AR1HTR2AHTR2CHTR2B
SCHEMBL14671820 0.73 TNKS (0.31) HTR2AHTR2CHTR2B
SCHEMBL3727019 0.66 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL14483941 0.66 HTR2A (0.47) HTR2AHTR2CHTR2B
SCHEMBL19711550 0.63 HTR2A (0.42) HTR2AHTR2CHTR2B
SCHEMBL12706725 0.63 HTR2A (0.49) HTR2AHTR2CHTR2B
SCHEMBL13329582 0.63 HTR2C (0.42) HTR2AHTR2CHTR2B
SCHEMBL29380880 0.63 HTR2A (0.42) HTR2AHTR2CHTR2B
SCHEMBL14660670 0.61 C5AR1 (0.37) C5AR1HTR2AHTR2CHTR2B

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-9505755-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5A receptor modulators NOVARTIS AG (CH) 2016-11-29 US disclosed
US-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2014-11-27 US disclosed
US-8846656-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5a receptor modulators NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-07-18 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-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 C5AR1 1/4885HTR2A 361/4885HTR2C 386/4885
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 C5AR1 1/4885HTR2A 310/4885HTR2C 364/4885

“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.