SCHEMBL6005396

SCHEMBL6005396

CCOC(=O)CCN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
KDM4E B2RXH2 2/20 0.61
OPRM1 P35372 3/20 0.59
NPSR1 Q6W5P4 1/20 0.58
KCNH2 Q12809 1/20 0.56
CCR3 P51677 1/20 0.56
PRMT6 Q96LA8 1/20 0.55

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
SCHEMBL7247107 0.93 KCNH2 (0.61) L3MBTL1KDM4EOPRM1KCNH2CCR3
Bromide SCHEMBL7247104 0.91 KCNH2 (0.60) L3MBTL1KDM4EOPRM1KCNH2CCR3
SCHEMBL28994557 0.87 PRMT6 (0.60) CCR3PRMT6
SCHEMBL4578817 0.87 L3MBTL1 (0.64) L3MBTL1KDM4EOPRM1
SCHEMBL4251398 0.84 CCR3 (0.55) KDM4ECCR3
SCHEMBL7253377 0.82 CCR3 (0.63) KDM4ECCR3PRMT6
SCHEMBL7406643 0.82 TMEM97 (0.60) KDM4ENPSR1KCNH2
SCHEMBL5969423 0.82 CCR3 (0.67) CCR3PRMT6
SCHEMBL27590233 0.82 KDM4E (0.64) L3MBTL1KDM4EOPRM1NPSR1KCNH2
SCHEMBL10595156 0.82 SLC18A3 (0.64) OPRM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383772-B1 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2006-08-30 EP disclosed
CN-1246323-C Nitrogen-based camptothecin derivatives CALIFORNIA PACIFIC MED CENTER (US) 2006-03-22 CN disclosed
US-6933302-B2 Nitrogen-based homo-camptothecin derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2005-08-23 US disclosed
US-6855720-B2 Nitrogen-based camptothecin derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2005-02-15 US disclosed
US-6825207-B2 ANTICANCER AGENTS CALIFORNIA PACIFIC MEDICAL CENTER 2004-11-30 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 (3 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 L3MBTL1 3543/4885KDM4E 2628/4885OPRM1 4536/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 L3MBTL1 3149/4885KDM4E 2741/4885OPRM1 4328/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 L3MBTL1 3149/4885KDM4E 2741/4885OPRM1 4328/4885

“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.