SCHEMBL5010735

SCHEMBL5010735

CC(=O)c1ccc(N2CCN(CCC(=O)O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.57
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
HTR1A P08908 4/20 0.53
HRH3 Q9Y5N1 2/20 0.53
HTR7 P34969 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
SOD1 P00441 1/20 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
SCHEMBL7566159 0.90 HRH3 (0.58) KMT2AMEN1HTR1AHRH3HTR7
SCHEMBL11736036 0.84 DRD2 (0.60) KMT2AMEN1HRH3HTR7ALDH1A1
SCHEMBL5010657 0.84 MAPT (0.61) KMT2AMEN1ITGB3ITGA2BHTR1A
SCHEMBL23407829 0.83 KMT2A (0.56) KMT2AMEN1HRH3ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1375787 0.83 KMT2A (0.59) KMT2AMEN1ITGB3ITGA2BHTR7
SCHEMBL17807164 0.83 HRH3 (0.58) KMT2AMEN1HTR1AHRH3ALDH1A1
SCHEMBL2114983 0.82 HTR1A (0.73) HTR1AHTR7ALDH1A1MAPT
SCHEMBL6003242 0.82 KMT2A (0.54) KMT2AMEN1HTR1AHRH3ALDH1A1
SCHEMBL17429549 0.82 HRH3 (0.60) KMT2AHRH3ALDH1A1MAPTNPC1
SCHEMBL17669252 0.82 MAPT (0.71) KMT2AMEN1ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008093920-A2 1,2-DIHYDRO-1-OXOPHTHALAZINYL DERIVATIVES HAVING BIOLOGICAL ACTIVITY ON SEROTONIN RECEPTORS 5-HT2A AND 5-HT2C, AND PREPARATION THEREOF DONGBU HITEK CO., LTD. (KR) 2008-08-07 WO disclosed
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
EP-1581216-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GmbH (DE) 2005-10-05 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
WO-2004060368-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GMBH (DE) 2004-07-22 WO 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 2430/4885MEN1 114/4885ITGB3 1967/4885
US-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 KMT2A 2819/4885MEN1 1506/4885ITGB3 3573/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 KMT2A 2819/4885MEN1 1506/4885ITGB3 3573/4885

“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.