SCHEMBL6005349

SCHEMBL6005349

CCOC(=O)CCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 5/20 0.57
TSHR P16473 1/20 0.57
HTR7 P34969 2/20 0.57
HTR1A P08908 1/20 0.57
SIGMAR1 Q99720 2/20 0.55
OPRM1 P35372 1/20 0.55
CHRM1 P11229 1/20 0.54
SLC6A2 P23975 1/20 0.54
HRH2 P25021 1/20 0.54
HRH1 P35367 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
MC4R P32245 1/20 0.53

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
SCHEMBL6604229 0.92 CACNA1G (0.54) KMT2AALDH1A1TSHRHTR7HTR1A
SCHEMBL7423981 0.91 HTR7 (0.57) KMT2AALDH1A1TSHRHTR7SIGMAR1
SCHEMBL7422666 0.89 HTR7 (0.58) ALDH1A1HTR7SIGMAR1OPRM1KDM4E
SCHEMBL7423471 0.89 HTR7 (0.58) ALDH1A1HTR7SIGMAR1OPRM1KDM4E
SCHEMBL1206024 0.89 SMN1; SMN2 (0.54) KMT2AALDH1A1KDM4E
SCHEMBL2085619 0.89 SMN1; SMN2 (0.54) KMT2AALDH1A1KDM4E
SCHEMBL10898699 0.88 ADRA1D (0.53) KMT2AALDH1A1SIGMAR1OPRM1HRH3
SCHEMBL11632873 0.87 ALDH1A1 (0.56) KMT2AALDH1A1TSHRHTR7SIGMAR1
Hydrochloric Acid SCHEMBL10899218 0.87 ALDH1A1 (0.55) KMT2AALDH1A1SIGMAR1OPRM1HRH3
SCHEMBL4083554 0.85 LMNA (0.60) KMT2AALDH1A1TSHRSIGMAR1MEN1

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 KMT2A 2430/4885ALDH1A1 1708/4885TSHR 4326/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 KMT2A 2819/4885ALDH1A1 1488/4885TSHR 3983/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 KMT2A 2819/4885ALDH1A1 1488/4885TSHR 3983/4885

“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.