SCHEMBL29950127

SCHEMBL29950127

CC(C)(C)OC(=O)N1CC[C@H](Cn2ccc3c(Cl)ncnc32)[C@@H](F)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.41
SRC P12931 5/20 0.41
EGFR P00533 3/20 0.41
USP7 Q93009 3/20 0.40
ABL1 P00519 2/20 0.39
ABL2 P42684 2/20 0.39
BCHE P06276 1/20 0.38
HTR6 P50406 1/20 0.38
TGFBR1 P36897 1/20 0.38
GPR119 Q8TDV5 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
SCHEMBL23897580 1.00 PIK3CD (0.41) PIK3CDSRCEGFRUSP7ABL1
SCHEMBL515281 0.87 TGFBR1 (0.47) PIK3CDSRCEGFRUSP7BCHE
SCHEMBL515778 0.87 TGFBR1 (0.47) PIK3CDSRCEGFRUSP7BCHE
SCHEMBL23882273 0.86 FGFR1 (0.38)
SCHEMBL17394745 0.85 GPR119 (0.46) USP7TGFBR1GPR119
SCHEMBL514832 0.83 JAK3 (0.41) PIK3CDUSP7BCHEHTR6TGFBR1
SCHEMBL31637406 0.82 GPR119 (0.38) PIK3CDSRCEGFRTGFBR1GPR119
SCHEMBL31637279 0.82 GPR119 (0.38) PIK3CDSRCEGFRTGFBR1GPR119
SCHEMBL23897651 0.82 GPR119 (0.41) PIK3CDGPR119
SCHEMBL9950465 0.80 SRC (0.54) PIK3CDSRCEGFRABL1ABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780843-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-10-10 US disclosed
EP-4126874-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS Nuevolution A/S (DK) 2023-02-08 EP disclosed
US-20220363683-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2022-11-17 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-11780843-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 PIK3CD 2674/4885SRC 942/4885EGFR 719/4885
US-20220363683-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 PIK3CD 2674/4885SRC 942/4885EGFR 719/4885

“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.