Sugi Predict

Sugi Predict / Compounds / SCHEMBL3942686

SCHEMBL3942686

SCHEMBL3942686

CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.56
▸ DRD2 P14416 2/20 0.54
▸ ACACB O00763 8/20 0.53
▸ ACACA Q13085 4/20 0.51
▸ EPHX1 P07099 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ CKS1B P61024 1/20 0.46
▸ SKP1 P63208 1/20 0.46
▸ SKP2 Q13309 1/20 0.46

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
SCHEMBL4377073 1.00 KMT2A (0.56) KMT2ADRD2ACACBACACAEPHX1
SCHEMBL3816616 1.00 KMT2A (0.56) KMT2ADRD2ACACBACACAEPHX1
SCHEMBL190838 1.00 KMT2A (0.56) KMT2ADRD2ACACBACACAEPHX1
Bicarbonate SCHEMBL1580718 0.96 KMT2A (0.57) KMT2ADRD2ACACBACACAEPHX1
Formaldehyde SCHEMBL28082239 0.96 KMT2A (0.54) KMT2ADRD2ACACBACACAEPHX1
SCHEMBL2177401 0.93 KMT2A (0.51) KMT2ADRD2ACACBACACAEPHX1
SCHEMBL3945277 0.93 KMT2A (0.51) KMT2ADRD2ACACBACACAEPHX1
SCHEMBL1204996 0.93 KMT2A (0.51) KMT2ADRD2ACACBACACAEPHX1
SCHEMBL7810249 0.93 KMT2A (0.51) KMT2ADRD2ACACBACACAEPHX1
SCHEMBL7816031 0.93 KMT2A (0.51) KMT2ADRD2ACACBACACAEPHX1

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
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 — — US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 — — US disclosed
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 — — EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 — — 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-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R KMT2A 633/4885DRD2 130/4885ACACB 3551/4885

“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.