SCHEMBL1058729

SCHEMBL1058729

CC(C)(C)OC(=O)N1CCc2cc(NCC(=O)c3ccccc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
AGTR1 P30556 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
GPR119 Q8TDV5 8/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
AKR1C3 P42330 1/20 0.43
DHODH Q02127 1/20 0.42
TRIM24 O15164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL1051317 0.84 RAB9A (0.60) ALDH1A1SMN1; SMN2GAAMAPTRAB9A
SCHEMBL27370309 0.79 RAB9A (0.52) ALDH1A1SMN1; SMN2MAPTGPR119RAB9A
SCHEMBL12464373 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTGPR119RAB9A
SCHEMBL9177839 0.78 NPC1 (0.53) ALDH1A1SMN1; SMN2MAPTGPR119RAB9A
SCHEMBL1058731 0.78 POLB (0.47) ALDH1A1MAPTGPR119HPGDDHODH
SCHEMBL1948366 0.77 LMNA (0.47) SMN1; SMN2MAPTDHODHTRIM24HDAC6
SCHEMBL6109559 0.77 NPC1 (0.45) ALDH1A1SMN1; SMN2MAPTGPR119RAB9A
SCHEMBL380505 0.76 DHODH (0.49) ALDH1A1MAPTGPR119HPGDDHODH
SCHEMBL30527088 0.76 DHODH (0.49) ALDH1A1MAPTGPR119HPGDDHODH
SCHEMBL19689701 0.75 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAAMAPTGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691814-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-04-08 US disclosed
US-20110105427-A1 DEAZAPURINES AND USES THEREOF DAUN JANE 2011-05-05 US disclosed
US-7868002-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-11 US disclosed
EP-1474425-B9 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2008-07-02 EP disclosed
US-20080103137-A1 Deazapurines and uses thereof EISAI CO., LTD. 2008-05-01 US disclosed
US-7314936-B2 Deazapurines and uses thereof EISAI CO., LTD. (JP) 2008-01-01 US disclosed
EP-1707566-A1 Deazapurines and uses thereof Eisai Co., Ltd. (JP) 2006-10-04 EP disclosed
EP-1474425-B1 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-20050124649-A1 Deazapurines and uses thereof EISAI CO., LTD (JP) 2005-06-09 US disclosed
EP-1474425-A1 DEAZAPURINES AND USES THEREOF Eisai Co. Ltd. (JP) 2004-11-10 EP disclosed
US-20040186127-A1 Novel deazapurines and uses thereof EISAI CO., LTD. (JP) 2004-09-23 US disclosed
WO-2003057696-A1 DEAZAPURINES AND USES THEREOF EISAI CO. LTD. (JP) 2003-07-17 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 (4 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-20110105427-A1 DEAZAPURINES AND USES THEREOF TPMT, CD38, CD2 ALDH1A1 158/4885AGTR1 2332/4885SMN1; SMN2 3727/4885
US-20050124649-A1 Deazapurines and uses thereof TPMT, CD38, CD2 ALDH1A1 167/4885AGTR1 2378/4885SMN1; SMN2 3735/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 ALDH1A1 168/4885AGTR1 4257/4885SMN1; SMN2 3443/4885
US-20040186127-A1 Novel deazapurines and uses thereof TPMT, ENTPD5, MTAP ALDH1A1 88/4885AGTR1 3308/4885SMN1; SMN2 1573/4885

“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.