SCHEMBL6005398

SCHEMBL6005398

CCOC(=O)CCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
KDM4E B2RXH2 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
HTR2A P28223 3/20 0.55
SLC6A4 P31645 1/20 0.55
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HRH1 P35367 3/20 0.53
SLC6A2 P23975 2/20 0.53
HRH2 P25021 2/20 0.53
TMEM97 Q5BJF2 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
CHRM1 P11229 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
DRD2 P14416 3/20 0.51
DRD4 P21917 3/20 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
SCHEMBL7957399 0.92 DRD2 (0.58) HTR1ALMNAGAARXFP1HTR2A
SCHEMBL7957305 0.91 DRD2 (0.56) HTR1ALMNAGAARXFP1HTR2A
SCHEMBL11631677 0.88 MAPT (0.63) HTR1ALMNAGAAKDM4EHTR2A
SCHEMBL5010667 0.86 HTR1A (0.61) HTR1AHTR2AHRH1SLC6A2HRH2
SCHEMBL20271748 0.86 ALDH1A1 (0.56) LMNAGAAKDM4ECYP3A4ALDH1A1
SCHEMBL23086717 0.85 ALDH1A1 (0.54) HTR1ALMNAGAAKDM4EHTR2A
SCHEMBL6003242 0.85 KMT2A (0.54) HTR1ALMNAGAAKDM4EHTR2A
SCHEMBL3157629 0.85 KMT2A (0.68) HTR1AGAAHTR2ASLC6A4ALDH1A1
SCHEMBL11168983 0.85 TMEM97 (0.54) HTR1ALMNAKDM4ECYP3A4TSHR
SCHEMBL1338534 0.83 HRH2 (0.50) HTR1ALMNAGAAKDM4EHTR2A

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 HTR1A 1728/4885LMNA 1310/4885GAA 4335/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 HTR1A 2437/4885LMNA 1222/4885GAA 3709/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 HTR1A 2437/4885LMNA 1222/4885GAA 3709/4885

“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.