SCHEMBL7130825

SCHEMBL7130825

O=C(NCCN1CCCCC1)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3OC(CO)C(O)C3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 1.00
ADORA3 P0DMS8 2/20 0.59
ADORA1 P30542 2/20 0.59
ADORA2B P29275 1/20 0.59

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
SCHEMBL726078 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7130822 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL31181359 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL726079 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4376477 0.97 ADORA2A (1.00) ADORA2A
SCHEMBL4376473 0.97 ADORA2A (1.00) ADORA2A
SCHEMBL6324036 0.95 ADORA2A (0.90) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6324041 0.95 ADORA2A (0.90) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6411758 0.95 ADORA2A (0.90) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6913647 0.95 ADORA2A (0.90) ADORA2AADORA3ADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209916-A1 Combination therapies PFIZER INC 2004-10-21 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-20040209916-A1 Combination therapies ADRA2C, ADRB2, ADRA2A ADORA2A 10/4885ADORA3 13/4885ADORA1 11/4885

“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.