SCHEMBL2114062

SCHEMBL2114062

O=C(O)CCN1CCN(c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
ALDH1A1 P00352 4/20 0.52
HPGD P15428 1/20 0.52
MAOB P27338 1/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 3/20 0.50
KMT2A Q03164 3/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL3195712 0.84 ADRA2A (0.58) MAPTALDH1A1HPGDMAOBMAPK1
Hydrochloric Acid SCHEMBL3199179 0.83 ADRA2A (0.57) MAPTALDH1A1HPGDMAOBMAPK1
SCHEMBL10731924 0.79 ALDH1A1 (0.70) MAPTALDH1A1HPGDMAOBMAPK1
SCHEMBL25367264 0.79 TSHR (0.60) MAPTALDH1A1HPGDMAPK1KDM4E
SCHEMBL3195722 0.77 HTR1A (0.55) MAPTMAPK1KDM4ETSHRKMT2A
SCHEMBL3187547 0.76 ALDH1A1 (0.54) MAPTALDH1A1KDM4ETP53L3MBTL1
SCHEMBL2115328 0.76 DRD4 (0.54) MAPTMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL5010586 0.76 GAA (0.51) MAPTTP53HTR1ADRD2GAA
SCHEMBL27845867 0.76 KDM4E (0.51) MAPTALDH1A1MAPK1KDM4ETSHR
SCHEMBL10727502 0.76 MAPT (1.00) MAPTALDH1A1KDM4ETP53L3MBTL1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388003-B1 Colchicine derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-12-29 EP disclosed
EP-3207929-B1 COLCHICINE DERIVATIVES FOR THE TREATMENT OF CANCER CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-05-26 EP disclosed
EP-3207929-A2 COLCHICINE DERIVATIVES California Pacific Medical Center (US) 2017-08-23 EP disclosed
EP-1617843-B1 COLCHICINE DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2016-12-21 EP disclosed
EP-1643987-B1 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2016-11-30 EP disclosed
US-8158809-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2012-04-17 US disclosed
EP-2388003-A2 Colchicine derivatives California Pacific Medical Center (US) 2011-11-23 EP disclosed
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES Sutter West Bay Hospitals, dba California Pacific Medical Center and Catholic Healthcare West 2009-12-03 US disclosed
US-7605262-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2009-10-20 US disclosed
US-20080113941-A1 Podophyllotoxin Derivatives CALIFORNIA PACIFIC MEDICAL CENTER 2008-05-15 US disclosed
US-6825207-B2 ANTICANCER AGENTS CALIFORNIA PACIFIC MEDICAL CENTER 2004-11-30 US disclosed
US-6825236-B2 ACTIVE AGAINST TUMORS IN MICE AND ARE GENERALLY WELL TOLERATED CALIFORNIA PACIFIC MEDICAL CENTER 2004-11-30 US disclosed
US-20040204370-A1 COLCHICINE DERIVATIVES SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-10-14 US disclosed
CN-1511159-A Nitrogen-based camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-07-07 CN disclosed
US-20040063740-A1 For treatment of cancer SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2004-04-01 US disclosed
EP-1383772-A2 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES California Pacific Medical Center (US) 2004-01-28 EP disclosed
US-20030073698-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-04-17 US disclosed
US-20030032624-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-02-13 US disclosed
WO-2002070525-A2 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-09-12 WO disclosed
US-6403604-B1 ANTITUMOR CALIFORNIA PACIFIC MEDICAL CENTER 2002-06-11 US 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 (6 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-20040063740-A1 For treatment of cancer MGMT, PAICS, DCK MAPT 3806/4885ALDH1A1 1708/4885HPGD 204/4885
US-20080113941-A1 Podophyllotoxin Derivatives APEH, DAGLA, DPY30 MAPT 3855/4885ALDH1A1 285/4885HPGD 1192/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 MAPT 4670/4885ALDH1A1 1488/4885HPGD 197/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 MAPT 1398/4885ALDH1A1 2730/4885HPGD 2589/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 MAPT 3855/4885ALDH1A1 285/4885HPGD 1192/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 MAPT 4670/4885ALDH1A1 1488/4885HPGD 197/4885

“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.