SCHEMBL2113305

SCHEMBL2113305

O=C(O)CCN1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.76
HTR7 P34969 1/20 0.67
DRD2 P14416 3/20 0.58
DRD4 P21917 2/20 0.58
DRD3 P35462 1/20 0.58
ADRA1D P25100 4/20 0.58
CACNA1G O43497 1/20 0.57
ADRA1A P35348 3/20 0.57
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
ADRA1B P35368 3/20 0.55
HTR2A P28223 1/20 0.54

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
SCHEMBL3162949 0.90 DRD2 (0.69) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL18118440 0.84 HTR1A (0.62) HTR1AHTR7DRD4ADRA1DLMNA
SCHEMBL7299174 0.84 HTR1A (0.62) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL29831643 0.84 HTR1A (0.62) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL11214631 0.84 ADRA1B (0.61) HTR1AHTR7ADRA1DCACNA1GADRA1A
SCHEMBL2114057 0.83 ALDH1A1 (0.58) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL5011481 0.83 CYP2D6 (0.67) HTR1ACACNA1GKDM4ELMNA
Hydrochloric Acid SCHEMBL29832024 0.83 HTR1A (0.61) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL1867299 0.82 CACNA1G (0.65) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL1491196 0.81 DRD2 (0.68) HTR1ADRD2DRD4DRD3HTR2A

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 35 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
WO-2008093920-A2 1,2-DIHYDRO-1-OXOPHTHALAZINYL DERIVATIVES HAVING BIOLOGICAL ACTIVITY ON SEROTONIN RECEPTORS 5-HT2A AND 5-HT2C, AND PREPARATION THEREOF DONGBU HITEK CO., LTD. (KR) 2008-08-07 WO 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
EP-1287192-A1 METHOD FOR PRODUCING SYNTHETIC FIBRES FROM A FIBRE-FORMING POLYMER-BASED MELT BLEND Röhm GmbH & Co. KG (DE) 2003-03-05 EP 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
WO-2001090454-A1 METHOD FOR PRODUCING SYNTHETIC FIBRES FROM A FIBRE-FORMING POLYMER-BASED MELT BLEND Röhm GmbH & Co. KG (DE) 2001-11-29 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-20040063740-A1 For treatment of cancer MGMT, PAICS, DCK HTR1A 1728/4885HTR7 541/4885DRD2 4757/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 HTR1A 2437/4885HTR7 1517/4885DRD2 3849/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 HTR1A 2109/4885HTR7 874/4885DRD2 1471/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 HTR1A 2437/4885HTR7 1517/4885DRD2 3849/4885

“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.