SCHEMBL6004573

SCHEMBL6004573

CCOC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
HTR2A P28223 2/20 0.60
HTR2C P28335 1/20 0.60
SLC6A4 P31645 1/20 0.60
HTR7 P34969 1/20 0.57
SIGMAR1 Q99720 2/20 0.56
POLB P06746 1/20 0.55
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 2/20 0.54
XBP1 P17861 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 2/20 0.53
DRD3 P35462 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 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
SCHEMBL10763370 0.93 HTR7 (0.61) ALDH1A1HTR2AHTR2CSLC6A4HTR7
SCHEMBL10762915 0.88 ALDH1A1 (0.64) ALDH1A1POLBMAPTLMNAGAA
SCHEMBL11330799 0.86 HTR2A (0.58) ALDH1A1HTR2AHTR2CSLC6A4HTR7
SCHEMBL11168983 0.85 TMEM97 (0.54) ALDH1A1HTR2AHTR2CHTR7SIGMAR1
SCHEMBL11162215 0.84 KCNH2 (0.60) ALDH1A1HTR2AHTR2CHTR7SIGMAR1
SCHEMBL3849516 0.84 ALDH1A1 (0.54) ALDH1A1HTR2AHTR2CSLC6A4HTR7
SCHEMBL10763277 0.83 HTR1A (0.65) ALDH1A1HTR2AHTR2CSLC6A4HTR7
SCHEMBL2111769 0.83 SIGMAR1 (0.67) ALDH1A1HTR7SIGMAR1POLBMAPT
Hydrochloric Acid SCHEMBL5268985 0.83 ALDH1A1 (0.55) ALDH1A1HTR2AHTR2CSLC6A4HTR7
SCHEMBL11628265 0.82 DRD2 (0.66) ALDH1A1SLC6A4SIGMAR1MAPTSMN1; SMN2

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
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
US-4092416-A Benzopyrone derivatives exhibiting anti-allergic activity BOEHRINGER MANNHEIM GMBH (DT) 1978-05-30 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 ALDH1A1 1708/4885HTR2A 1007/4885HTR2C 1554/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 ALDH1A1 1488/4885HTR2A 2260/4885HTR2C 2347/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 ALDH1A1 1488/4885HTR2A 2260/4885HTR2C 2347/4885

“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.