SCHEMBL4602922

SCHEMBL4602922

CC(C)COC(=O)C(N)CCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ CHRNB2 P17787 4/20 0.34
▸ CHRNA4 P43681 4/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ CHRNB4 P30926 2/20 0.34
▸ CHRNA3 P32297 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC7A5 Q01650 1/20 0.32
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ SLC1A3 P43003 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
SCHEMBL4602923 1.00 TSHR (0.41) TSHRCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL5532424 0.89 NOS2 (0.39) TSHRCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL5532428 0.89 NOS2 (0.39) TSHRCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL4603026 0.79 LTA4H (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL2446304 0.79 LTA4H (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL19248428 0.79 TSHR (0.41) TSHRCHRM1CHRM3ALDH1A1SMN1; SMN2
SCHEMBL28187811 0.79 TSHR (0.41) TSHRALDH1A1SMN1; SMN2SLC7A5SLC1A3
SCHEMBL61007 0.79 TSHR (0.41) TSHRALDH1A1SMN1; SMN2SLC7A5SLC1A3
SCHEMBL24950471 0.77 TSHR (0.39) TSHRALDH1A1SMN1; SMN2SLC7A5SLC1A3
Hydrochloric Acid SCHEMBL2445581 0.77 LTA4H (0.40) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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
EP-1924568-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-05-28 — — EP disclosed
EP-1915351-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-04-30 — — EP disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 — — US disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 — — WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 — — WO disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 — — 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-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 TSHR 3544/4885CHRNB2 4438/4885CHRNA4 3750/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 TSHR 2778/4885CHRNB2 4188/4885CHRNA4 3441/4885

“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.

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