Sugi Predict

Sugi Predict / Compounds / SCHEMBL2113038

SCHEMBL2113038

SCHEMBL2113038

O=C(O)CCN1CCN(c2ncccn2)CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.71
▸ HTR7 P34969 1/20 0.61
▸ DRD4 P21917 4/20 0.59
▸ DRD2 P14416 2/20 0.56
▸ DRD3 P35462 2/20 0.56
▸ ADRA2C P18825 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ HRH1 P35367 1/20 0.56
▸ KDM4E B2RXH2 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ MDM2 Q00987 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL9533727 0.90 HTR1A (0.64) HTR1AHTR7DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL9532906 0.89 HTR1A (0.62) HTR1AHTR7DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL9533610 0.89 HTR1A (0.62) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL17598216 0.89 HTR1A (0.62) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL8343540 0.85 HTR1A (0.65) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL6360134 0.83 HTR1A (1.00) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL7356339 0.83 ALDH1A1 (0.66) HTR1ADRD4DRD2DRD3KDM4E
SCHEMBL5009465 0.81 HTR1A (0.78) HTR1AHTR7DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL1371732 0.81 ALDH1A1 (0.64) HTR1ADRD4DRD2DRD3KDM4E
SCHEMBL16862217 0.81 HTR1A (0.64) HTR1AHTR7DRD4DRD2DRD3

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 32 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
EP-1643987-A4 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2008-07-09 — — EP 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
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
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 (5 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 HTR1A 1728/4885HTR7 541/4885DRD4 4812/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 HTR1A 2437/4885HTR7 1517/4885DRD4 4337/4885
US-20040204370-A1 COLCHICINE DERIVATIVES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS, NAP1L4 HTR1A 821/4885HTR7 286/4885DRD4 1500/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 HTR1A 2109/4885HTR7 874/4885DRD4 823/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 HTR1A 2437/4885HTR7 1517/4885DRD4 4337/4885

“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.