SCHEMBL1334385

SCHEMBL1334385

CCCn1c(=O)c2c(nc(Cc3cccc(Cl)c3)n2CCN(CC)CCO)n(CCc2ccc(N)cc2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.61
ADORA3 P0DMS8 3/20 0.42
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2B P29275 6/20 0.39
ADORA2A P29274 3/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1333188 0.91 ADORA1 (0.49) ADORA1ADORA3USP2TSHRALDH1A1
SCHEMBL4176173 0.91 ADORA1 (0.62) ADORA1ADORA3TSHRHTTADORA2B
SCHEMBL1332408 0.91 ADORA1 (0.66) ADORA1ADORA3TSHRALDH1A1HTT
Hydrochloric Acid SCHEMBL1332578 0.90 ADORA1 (0.65) ADORA1ADORA3TSHRALDH1A1HTT
SCHEMBL1333475 0.90 ADORA1 (0.58) ADORA1ADORA3TSHRALDH1A1HTT
SCHEMBL1333191 0.87 ADORA1 (0.62) ADORA1ADORA3TSHRALDH1A1HTT
SCHEMBL1332532 0.87 ADORA1 (0.65) ADORA1ADORA3TSHRADORA2BADORA2A
SCHEMBL1333496 0.87 ADORA1 (0.56) ADORA1ADORA3TSHRALDH1A1HTT
SCHEMBL1333086 0.86 ADORA1 (0.64) ADORA1ADORA3TSHRADORA2BADORA2A
Hydrochloric Acid SCHEMBL4170259 0.86 ADORA1 (0.55) ADORA1ADORA3TSHRALDH1A1HTT

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 ADORA1 1/4885ADORA3 2/4885USP2 3592/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A ADORA1 1/4885ADORA3 2/4885USP2 3746/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA3 3/4885USP2 3421/4885

“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.