SCHEMBL25608140

SCHEMBL25608140

CC(=O)NCC1COCCC1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FUCA1 P04066 1/20 0.36
▸ MTNR1A P48039 2/20 0.35
▸ CACNA1H O95180 1/20 0.33
▸ SLC6A2 P23975 7/20 0.32
▸ SLC6A4 P31645 4/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ MTNR1B P49286 1/20 0.30

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
SCHEMBL7836935 0.85 FUCA1 (0.40) FUCA1MTNR1ACACNA1HSLC6A2SLC6A4
SCHEMBL24133924 0.77 FUCA1 (0.38) FUCA1MTNR1ACACNA1HGLAMTNR1B
SCHEMBL15461396 0.77 NAMPT (0.40) FUCA1MTNR1ACACNA1H
SCHEMBL31678251 0.77 NAMPT (0.40) FUCA1MTNR1ACACNA1H
SCHEMBL3394009 0.72 NPC1 (0.43) FUCA1MTNR1ACACNA1HMTNR1B
SCHEMBL15461404 0.72 FUCA1 (0.41) FUCA1MTNR1ACACNA1HGLAMTNR1B
SCHEMBL25608137 0.71 FUCA1 (0.38) FUCA1MTNR1ACACNA1HSLC6A2SLC6A4
SCHEMBL25045276 0.71 HTR2C (0.34) —
SCHEMBL24015490 0.71 MTNR1A (0.32) FUCA1MTNR1ACACNA1HSLC6A2SLC6A4
SCHEMBL24015545 0.71 MTNR1A (0.32) FUCA1MTNR1ACACNA1HSLC6A2SLC6A4

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-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 — — 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-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 FUCA1 4422/4885MTNR1A 95/4885CACNA1H 2540/4885

“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.

Send feedback