SCHEMBL6005510

SCHEMBL6005510

CCOC(=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
ALDH1A1 P00352 3/20 0.67
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HTR1A P08908 2/20 0.62
KMT2A Q03164 1/20 0.60
SLC6A4 P31645 1/20 0.57
HTT P42858 1/20 0.57
KCNJ1 P48048 1/20 0.55
KCNH2 Q12809 1/20 0.55
SIRT6 Q8N6T7 1/20 0.55
TP53 P04637 1/20 0.54
SOD1 P00441 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL2882026 0.88 HTR1A (0.65) MAPTALDH1A1LMNASMN1; SMN2HTR1A
SCHEMBL3055880 0.86 MGLL (0.56) MAPTALDH1A1LMNASMN1; SMN2HTR1A
SCHEMBL11631677 0.83 MAPT (0.63) MAPTLMNAHTR1AKMT2ASLC6A4
SCHEMBL6005398 0.82 HTR1A (0.59) MAPTALDH1A1LMNAHTR1AKMT2A
SCHEMBL5010667 0.82 HTR1A (0.61) MAPTHTR1A
SCHEMBL2111232 0.82 HTR1A (0.74) MAPTALDH1A1SMN1; SMN2HTR1AKMT2A
SCHEMBL1375189 0.81 MAPT (0.69) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL16222343 0.81 MAPT (0.62) MAPTALDH1A1LMNASMN1; SMN2HTR1A
SCHEMBL23086717 0.81 ALDH1A1 (0.54) MAPTALDH1A1LMNASMN1; SMN2HTR1A
SCHEMBL3157629 0.81 KMT2A (0.68) MAPTALDH1A1HTR1AKMT2ASLC6A4

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 MAPT 3806/4885ALDH1A1 1708/4885LMNA 1310/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 MAPT 4670/4885ALDH1A1 1488/4885LMNA 1222/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 MAPT 4670/4885ALDH1A1 1488/4885LMNA 1222/4885

“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.