SCHEMBL3948461

SCHEMBL3948461

O=C(N[C@H]1CC[C@@H](NC(=O)OCc2ccccc2)CC1)OCc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.85
GAA P10253 1/20 0.85
TSHR P16473 1/20 0.81
EPHX1 P07099 1/20 0.71
DPP4 P27487 6/20 0.63
DPP7 Q9UHL4 6/20 0.63
KCNH2 Q12809 3/20 0.63
CTSL P07711 1/20 0.63
CTSB P07858 1/20 0.63
CTSK P43235 1/20 0.63
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TLR4 O00206 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
ACHE P22303 1/20 0.56
KDM1A O60341 1/20 0.56
MAOB P27338 1/20 0.56
CPB1 P15086 1/20 0.56

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
SCHEMBL3948456 1.00 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL381922 1.00 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.98 ALDH1A1 (0.83) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL761181 0.94 ALDH1A1 (0.76) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL9555876 0.94 ALDH1A1 (0.76) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL851220 0.94 ALDH1A1 (0.76) ALDH1A1GAATSHREPHX1DPP4
Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL332814 0.93 EPHX1 (0.76) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL7198149 0.93 EPHX1 (0.81) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL14337555 0.92 ALDH1A1 (0.74) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL12879965 0.92 ALDH1A1 (0.74) ALDH1A1GAATSHREPHX1DPP4

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 5 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-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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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 (3 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 ALDH1A1 2069/4885GAA 266/4885TSHR 271/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ALDH1A1 2036/4885GAA 484/4885TSHR 156/4885
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 ALDH1A1 1616/4885GAA 1060/4885TSHR 38/4885

“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.