SCHEMBL2115137

SCHEMBL2115137

O=C(O)CCN1CCNCC1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.57
SLC6A4 P31645 7/20 0.55
SLC6A3 Q01959 7/20 0.55
SLC6A2 P23975 6/20 0.55
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA9 Q16790 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.46
DPP4 P27487 2/20 0.45
DPP7 Q9UHL4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL9844016 0.90 MITF (0.55) MITFSLC6A4SLC6A3SLC6A2CA1
SCHEMBL5160892 0.86 SLC6A4 (0.57) MITFSLC6A4SLC6A3SLC6A2CA1
SCHEMBL2116076 0.85 TDP1 (0.44) MITFSLC6A4SLC6A3SLC6A2CA1
SCHEMBL27629296 0.85 TDP1 (0.51) MITFSLC6A4SLC6A3SLC6A2CA1
SCHEMBL27784843 0.81 SLC6A2 (0.61) MITFSLC6A4SLC6A3SLC6A2CA1
SCHEMBL16908331 0.81 CA1 (0.55) MITFSLC6A4SLC6A3SLC6A2CA1
SCHEMBL6936570 0.80 SLC6A2 (0.63) MITFSLC6A4SLC6A3SLC6A2CA1
SCHEMBL27505917 0.80 SLC6A2 (0.63) MITFSLC6A4SLC6A3SLC6A2CA1
SCHEMBL1415727 0.80 SLC6A2 (0.63) MITFSLC6A4SLC6A3SLC6A2CA1
SCHEMBL8654796 0.78 MITF (0.57) MITFSLC6A4SLC6A3SLC6A2TDP1

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 27 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-20050004169-A1 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2005-01-06 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
WO-2003101998-A1 NITROGEN-BASED HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 WO 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
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 (7 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 MITF 3192/4885SLC6A4 1703/4885SLC6A3 4114/4885
US-20080113941-A1 Podophyllotoxin Derivatives APEH, DAGLA, DPY30 MITF 2242/4885SLC6A4 2433/4885SLC6A3 3543/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 MITF 3416/4885SLC6A4 2684/4885SLC6A3 3084/4885
US-20050004169-A1 Podophyllotoxin derivatives APEH, DAGLA, DPY30 MITF 2242/4885SLC6A4 2433/4885SLC6A3 3543/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 MITF 1039/4885SLC6A4 1929/4885SLC6A3 3663/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 MITF 2242/4885SLC6A4 2433/4885SLC6A3 3543/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 MITF 3416/4885SLC6A4 2684/4885SLC6A3 3084/4885

“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.