SCHEMBL1908715

SCHEMBL1908715

CCOC(=O)O[C@@H]1C=C[C@H](n2cnc3c(C)nc(Cl)nc32)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.41
HTR2B P41595 5/20 0.41
ADCY5 O95622 6/20 0.40
ADORA3 P0DMS8 5/20 0.38
ADORA1 P30542 4/20 0.38
TMIGD3 P0DMS9 1/20 0.38
ADORA2A P29274 1/20 0.38
TSPO P30536 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM3 P20309 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
ABCB1 P08183 5/20 0.36
HRH2 P25021 1/20 0.35
HTR5A P47898 1/20 0.35

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
SCHEMBL241618 0.92 LMNA (0.46) HTR2CHTR2BADCY5ADORA3ADORA1
SCHEMBL14018046 0.91 HTR2C (0.40) HTR2CHTR2BADCY5ADORA3ADORA1
SCHEMBL588937 0.81 ADORA3 (0.53) ADORA3ADORA1ADORA2A
SCHEMBL1401993 0.80 ADORA1 (0.42) HTR2CHTR2BADORA3ADORA1TMIGD3
SCHEMBL242510 0.80 ADORA1 (0.42) HTR2CHTR2BADORA3ADORA1TMIGD3
SCHEMBL30827039 0.78 LMNA (0.52) ADCY5ADORA3ADORA1ADORA2AALDH1A1
SCHEMBL9692356 0.74 ABCB1 (0.48) ADCY5ABCB1
SCHEMBL243312 0.71 ADORA2A (0.43) ADORA3ADORA1ADORA2A
SCHEMBL12060833 0.71 LMNA (0.39) HTR2CHTR2BADCY5ADORA3ADORA1
SCHEMBL30827036 0.70 ADCY5 (0.45) ADCY5ALDH1A1LMNATP53MAPT

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
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 HTR2C 12/4885HTR2B 23/4885ADCY5 451/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 HTR2C 161/4885HTR2B 349/4885ADCY5 371/4885

“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.