SCHEMBL7054243

SCHEMBL7054243

CCOC(=O)[C@H]1CNCCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
FKBP1A P62942 2/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.37
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSL P07711 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7056396 1.00 PARP1 (0.43) PARP1MEN1KMT2AFKBP1AALDH1A1
SCHEMBL6541621 1.00 PARP1 (0.43) PARP1MEN1KMT2AFKBP1AALDH1A1
SCHEMBL18673224 0.87 PARP1 (0.44) PARP1HSD17B10MC4RMC5RSMN1; SMN2
SCHEMBL2584375 0.87 PARP1 (0.44) PARP1HSD17B10MC4RMC5RSMN1; SMN2
SCHEMBL654591 0.85 PARP1 (0.42) PARP1FKBP1AHSD17B10MC4RMC5R
SCHEMBL6350612 0.85 PARP1 (0.42) PARP1FKBP1AHSD17B10MC4RMC5R
SCHEMBL1634791 0.85 PARP1 (0.42) PARP1FKBP1AHSD17B10MC4RMC5R
Ammonia Solution, Strong SCHEMBL22169218 0.83 PARP1 (0.42) PARP1MEN1KMT2AFKBP1AALDH1A1
Hydrochloric Acid SCHEMBL15645732 0.83 PARP1 (0.42) PARP1MEN1KMT2AFKBP1AALDH1A1
SCHEMBL26941991 0.83 PARP1 (0.38) PARP1MEN1KMT2AHSD17B10MC4R

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 PARP1 631/4885MEN1 3569/4885KMT2A 1602/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF PARP1 1066/4885MEN1 3998/4885KMT2A 1432/4885

“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.