SCHEMBL7055329

SCHEMBL7055329

CC(C)C[C@@H]1CN(Cc2ccccc2)[C@@H](COCc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
PARP1 P09874 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRM1 P35372 1/20 0.37
KLK7 P49862 1/20 0.37
AGTR2 P50052 1/20 0.37
NR1D1 P20393 1/20 0.37
GHSR Q92847 1/20 0.37
TACR1 P25103 3/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL28549464 0.84 PARP1 (0.46) ABCB1PARP1GPR119NR1H2NR1H3
SCHEMBL7053628 0.81 PARP1 (0.40) ABCB1PARP1GPR119NR1H2NR1H3
SCHEMBL7053625 0.81 PARP1 (0.40) ABCB1PARP1GPR119NR1H2NR1H3
SCHEMBL30388235 0.80 PDK1 (0.45) ABCB1PARP1GPR119NR1H2NR1H3
SCHEMBL29715816 0.80 PDK1 (0.45) ABCB1PARP1GPR119NR1H2NR1H3
SCHEMBL7056205 0.79 MMP1 (0.48)
SCHEMBL23055187 0.78 NR1H2 (0.43) PARP1GPR119NR1H2NR1H3OPRD1
SCHEMBL26944436 0.78 NR1H2 (0.43) PARP1GPR119NR1H2NR1H3OPRD1
SCHEMBL29270912 0.78 NR1H2 (0.43) PARP1GPR119NR1H2NR1H3OPRD1
SCHEMBL29270916 0.78 NR1H2 (0.43) PARP1GPR119NR1H2NR1H3OPRD1

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-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US disclosed
US-6489324-B2 TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-03 US disclosed
US-20020128270-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-12 US disclosed
US-6333324-B1 FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US disclosed
EP-0948489-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP disclosed
WO-1998027069-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 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 (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-20020128270-A1 Piperazine compounds as inhibitors of MMP or TNF MMP1, MMP2, TNF ABCB1 703/4885PARP1 631/4885GPR119 2895/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF ABCB1 621/4885PARP1 1066/4885GPR119 2709/4885

“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.