SCHEMBL16079385

SCHEMBL16079385

Cc1cnc2c(c1C)OCCO2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
SCHEMBL30648762 0.80 ALDH1A1 (0.33) ALDH1A1CYP1A2
SCHEMBL21608331 0.80 ACHE (0.36)
SCHEMBL26640695 0.80 ALDH1A1 (0.33) ALDH1A1CYP1A2
SCHEMBL16077531 0.79 ALDH1A1 (0.33) ALDH1A1CYP1A2
SCHEMBL28434013 0.73
SCHEMBL21652657 0.72 ACHE (0.42) ALDH1A1CYP1A2CCR1CCR5CCR8
SCHEMBL15308536 0.71 CCR1 (0.35) CCR1CCR5CCR8ADRA2AADRA2C
SCHEMBL23790731 0.69 MAP3K14 (0.45) CCR1CCR5CCR8
SCHEMBL21334405 0.69 MAP4K1 (0.46)
SCHEMBL27371391 0.68 GRM5 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed
US-9512148-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2016-12-06 US disclosed
US-20150322092-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2015-11-12 US disclosed
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 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 (2 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-20150322092-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ALDH1A1 2724/4885CYP1A2 2524/4885CCR1 2147/4885
US-20140274954-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ALDH1A1 2724/4885CYP1A2 2524/4885CCR1 2147/4885

“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.