SCHEMBL6132487

SCHEMBL6132487

CCOC(=O)c1ccc(N2CCN(C3CCC(C)CC3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX15 P16050 1/20 0.46
HSP90AA1 P07900 2/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.46
FDFT1 P37268 1/20 0.45
MAPK1 P28482 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
SCHEMBL6132488 1.00 ALDH1A1 (0.55) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL6132519 1.00 ALDH1A1 (0.55) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL63474 0.95 ALDH1A1 (0.59) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL64407 0.90 ALDH1A1 (0.58) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL6135228 0.90 ALDH1A1 (0.67) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL63892 0.90 ALDH1A1 (0.63) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL6134915 0.89 ALDH1A1 (0.65) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL6132464 0.89 ALDH1A1 (0.45) ALDH1A1POLBMEN1KMT2ATSHR
SCHEMBL6132216 0.88 MEN1 (0.70) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL6135234 0.88 ALDH1A1 (0.55) ALDH1A1POLBMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1240713-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2006-02-08 CN disclosed
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
CN-1425026-A Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2003-06-18 CN disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
CN-1296494-A New compound FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 CN disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 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-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 ALDH1A1 4718/4885POLB 1311/4885MEN1 1517/4885

“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.