SCHEMBL13446202

SCHEMBL13446202

CCCN1C(=O)N2C[C@@H](C(C)C)N=C2c2[nH]c(C34CCC(C(=O)O)(CC3)CC4)nc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.43
ADORA2A P29274 11/20 0.43
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
PDE5A O76074 1/20 0.34
ADORA2B P29275 7/20 0.32
ADORA3 P0DMS8 2/20 0.32
P2RX7 Q99572 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
SCHEMBL3690387 0.90 ADORA1 (0.41) ADORA1ADORA2APDE3BPDE3APDE5A
SCHEMBL7965578 0.88 ADORA1 (0.46) ADORA1ADORA2AADORA2BADORA3
SCHEMBL13446182 0.88 ADORA1 (0.47) ADORA1ADORA2APDE3BPDE3APDE5A
SCHEMBL3691607 0.88 ADORA1 (0.47) ADORA1ADORA2APDE3BPDE3APDE5A
SCHEMBL13446203 0.87 ADORA2A (0.45) ADORA1ADORA2APDE5AADORA2BADORA3
SCHEMBL7952534 0.87 ADORA2A (0.45) ADORA1ADORA2APDE5AADORA2BADORA3
SCHEMBL7959531 0.86 ADORA1 (0.44) ADORA1ADORA2APDE5AADORA2BADORA3
SCHEMBL13446186 0.83 ADORA1 (0.40) ADORA1ADORA2APDE3BPDE3AADORA2B
SCHEMBL13446192 0.83 ADORA1 (0.40) ADORA1ADORA2APDE3BPDE3AADORA2B
SCHEMBL4693402 0.81 ADORA1 (0.47) ADORA1ADORA2AADORA2BADORA3

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-20100063071-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE BIOGEN IDEC MA INC. 2010-03-11 US disclosed
US-20100063071-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE BIOGEN IDEC MA INC. 2010-03-11 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-20100063071-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE ADORA2A, P2RX3, P2RX6 ADORA1 8/4885ADORA2A 1/4885PDE3B 224/4885

“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.