SCHEMBL1334533

SCHEMBL1334533

CCCn1c(=O)c2c(nc(Cc3ncn[nH]3)n2CCNCC(O)CC)n(CCc2ccccc2N)c1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ADORA2B P29275 7/20 0.33
ADORA2A P29274 5/20 0.33
ADORA3 P0DMS8 1/20 0.31
ADORA1 P30542 1/20 0.31
TPH1 P17752 1/20 0.31
TPH2 Q8IWU9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1334379 0.90 TSHR (0.40) TSHRADORA2BADORA2AADORA1SMN1; SMN2
SCHEMBL1334729 0.90 TSHR (0.34) TSHRADORA2BADORA2AADORA3ADORA1
SCHEMBL1333441 0.89 TSHR (0.35) TSHRADORA2BADORA2AADORA3ADORA1
SCHEMBL4167640 0.87 ADORA2B (0.43) TSHRADORA2BADORA2AADORA3ADORA1
Hydrochloric Acid SCHEMBL4174151 0.87 ADORA2B (0.42) TSHRADORA2BADORA2AADORA3ADORA1
SCHEMBL4182298 0.86 ADORA2B (0.39) TSHRADORA2BADORA2AADORA1SMN1; SMN2
SCHEMBL1333055 0.85 TSHR (0.36) TSHRADORA2BADORA2AADORA3SMN1; SMN2
SCHEMBL1333066 0.85 TSHR (0.36) TSHRADORA2BADORA2AADORA1SMN1; SMN2
SCHEMBL1334268 0.83 ADORA2B (0.36) TSHRADORA2BADORA2AADORA3ADORA1
SCHEMBL1333070 0.83 TSHR (0.35) TSHRADORA2BADORA2AADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247639-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-07-24 US claimed
US-20050187226-A1 A1 adenosine receptor antagonists ENDACEA, INC. 2005-08-25 US claimed
US-20110282031-A1 A1 ADENOSINE RECEPTOR DIAGNOSTIC PROBES WILSON CONSTANCE N (US) 2011-11-17 US disclosed
US-7902360-B2 e.g. 3-[2-(4-aminophenyl)ethyl]-8-benzyl-7-(2-ethylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility WILSON CONSTANCE N 2011-03-08 US disclosed
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2007-12-06 US disclosed
US-7247639-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-07-24 US disclosed
US-20050187226-A1 A1 adenosine receptor antagonists ENDACEA, INC. 2005-08-25 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 (3 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-20110282031-A1 A1 ADENOSINE RECEPTOR DIAGNOSTIC PROBES ADORA1, ADORA3, ADORA2A TSHR 472/4885ADORA2B 4/4885ADORA2A 3/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A TSHR 208/4885ADORA2B 4/4885ADORA2A 3/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 TSHR 252/4885ADORA2B 4/4885ADORA2A 2/4885

“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.