SCHEMBL10156160

SCHEMBL10156160

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 18/20 0.55
ADORA2A P29274 8/20 0.55
ADORA1 P30542 5/20 0.52
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL12196646 0.92 ADORA3 (0.55) ADORA3ADORA2AADORA1
SCHEMBL1412177 0.89 ADORA2A (0.57) ADORA3ADORA2AADORA1
SCHEMBL293365 0.89 ADORA2A (0.57) ADORA3ADORA2AADORA1
SCHEMBL1833924 0.89 ADORA2A (0.57) ADORA3ADORA2AADORA1
SCHEMBL1833926 0.89 ADORA2A (0.57) ADORA3ADORA2AADORA1
SCHEMBL1412175 0.89 ADORA2A (0.57) ADORA3ADORA2AADORA1
SCHEMBL239591 0.89 ADORA2A (0.57) ADORA3ADORA2AADORA1
SCHEMBL1412247 0.89 ADORA2A (0.57) ADORA3ADORA2AADORA1
SCHEMBL239273 0.89 ADORA2A (0.65) ADORA3ADORA2AADORA1HTR2CHTR2B
SCHEMBL3026443 0.88 ADORA3 (0.57) ADORA3ADORA2AADORA1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 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-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 ADORA3 1044/4885ADORA2A 1137/4885ADORA1 697/4885

“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.