SCHEMBL7354531

SCHEMBL7354531

CCOC(=O)c1ccc(C)nc1CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 1/20 0.46
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45

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
SCHEMBL9630374 0.88 TSHR (0.49) TSHRMEN1KMT2ACA12CA1
SCHEMBL15211251 0.86 NPC1 (0.46) TSHRMEN1KMT2ACA12CA1
SCHEMBL23666780 0.85 GABRP (0.66) TSHRMEN1KMT2ACA12CA1
SCHEMBL9355979 0.84 TSHR (0.55) TSHRMEN1KMT2ACA12CA1
SCHEMBL5664007 0.84 KDM4E (0.57) TSHRMEN1KMT2ACA12CA1
SCHEMBL16828808 0.82 MEN1 (0.55) TSHRMEN1KMT2ACA12CA1
SCHEMBL9308330 0.82 TSHR (0.53) TSHRMEN1KMT2ACA12CA1
SCHEMBL18323055 0.81 MEN1 (0.42) TSHRMEN1KMT2ACA12CA1
SCHEMBL3583155 0.81 TSHR (0.52) TSHRMEN1KMT2ACA12CA1
SCHEMBL510572 0.81 ALDH1A1 (0.54) TSHRMEN1KMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140954-A1 MAP4K1 INHIBITORS BLUEPRINT MEDICINES CORPORATION 2023-05-11 US disclosed
EP-0805681-A4 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-05-06 EP disclosed
EP-0805681-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1997-11-12 EP disclosed
WO-1996022775-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-08-01 WO 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-20230140954-A1 MAP4K1 INHIBITORS MAP4K1, MAP4K4, MAP4K2 TSHR 4668/4885MEN1 1295/4885KMT2A 1332/4885

“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.