SCHEMBL946091

SCHEMBL946091

COC[C@@H]1CNCCN1c1ccc2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
SLC6A4 P31645 2/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
USP2 O75604 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
HTR2C P28335 1/20 0.50
MAPK1 P28482 1/20 0.50
HTR7 P34969 1/20 0.50
HTT P42858 1/20 0.50
HTR6 P50406 1/20 0.50
PMP22 Q01453 1/20 0.50

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
SCHEMBL946093 1.00 KDM4E (0.50) KDM4ESLC6A4CYP3A4HSD17B10HTR3E
SCHEMBL4573662 0.85 KDM4E (0.55) KDM4ESLC6A4CYP3A4HSD17B10HTR3E
SCHEMBL947818 0.80 ALDH1A1 (0.58) SLC6A4CYP3A4HTR3EHTR3BALDH1A1
SCHEMBL947817 0.80 ALDH1A1 (0.58) SLC6A4CYP3A4HTR3EHTR3BALDH1A1
SCHEMBL6766547 0.79 HTR2C (0.57) KDM4ESLC6A4CYP3A4HSD17B10HTR3E
SCHEMBL16087143 0.77 KDM4E (0.57) KDM4ESLC6A4CYP3A4HSD17B10HTR3E
SCHEMBL5746436 0.77 KDM4E (0.57) KDM4ESLC6A4CYP3A4HSD17B10HTR3E
SCHEMBL947810 0.74 PDE10A (0.46) PDE10AHRH3NPC1RAB9A
SCHEMBL947808 0.74 PDE10A (0.46) PDE10AHRH3NPC1RAB9A
SCHEMBL9010420 0.74 KDM4E (0.55) KDM4ESLC6A4CYP3A4HSD17B10HTR3E

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
US-7998962-B2 Enantiomers of 2'-Fluoralky1-6-nitroquipazine as serotonin transporter positron emission tomography imaging agents and antidepressant therapeutics THE UNIVERSITY OF MONTANA (US) 2011-08-16 US disclosed
US-7998962-B2 Enantiomers of 2'-Fluoralky1-6-nitroquipazine as serotonin transporter positron emission tomography imaging agents and antidepressant therapeutics THE UNIVERSITY OF MONTANA (US) 2011-08-16 US disclosed
US-7998962-B2 Enantiomers of 2'-Fluoralky1-6-nitroquipazine as serotonin transporter positron emission tomography imaging agents and antidepressant therapeutics THE UNIVERSITY OF MONTANA (US) 2011-08-16 US disclosed
US-20110009419-A1 Enantiomers of 2'-Fluoralkyl-6-nitroquipazine as Serotonin Transporter Positron Emission Tomography Imaging Agents and Antidepressant Therapeutics GERDES JOHN M 2011-01-13 US disclosed
US-20110009419-A1 Enantiomers of 2'-Fluoralkyl-6-nitroquipazine as Serotonin Transporter Positron Emission Tomography Imaging Agents and Antidepressant Therapeutics GERDES JOHN M 2011-01-13 US disclosed
US-20110009419-A1 Enantiomers of 2'-Fluoralkyl-6-nitroquipazine as Serotonin Transporter Positron Emission Tomography Imaging Agents and Antidepressant Therapeutics GERDES JOHN M 2011-01-13 US disclosed
US-7812162-B2 Enantiomers of 2′-fluoralkyl-6-nitroquipazine as serotonin transporter positron emission tomography imaging agents and antidepressant therapeutics THE UNIVERSITY OF MONTANA (US) 2010-10-12 US disclosed
US-7812162-B2 Enantiomers of 2′-fluoralkyl-6-nitroquipazine as serotonin transporter positron emission tomography imaging agents and antidepressant therapeutics THE UNIVERSITY OF MONTANA (US) 2010-10-12 US disclosed
US-7812162-B2 Enantiomers of 2′-fluoralkyl-6-nitroquipazine as serotonin transporter positron emission tomography imaging agents and antidepressant therapeutics THE UNIVERSITY OF MONTANA (US) 2010-10-12 US disclosed
US-20080058344-A1 Enantiomers of 2'-fluoralkyl-6-nitroquipazine as serotonin transporter positron emission tomography imaging agents and antidepressant therapeutics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-06 US disclosed
US-20080058344-A1 Enantiomers of 2'-fluoralkyl-6-nitroquipazine as serotonin transporter positron emission tomography imaging agents and antidepressant therapeutics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-06 US disclosed
US-20080058344-A1 Enantiomers of 2'-fluoralkyl-6-nitroquipazine as serotonin transporter positron emission tomography imaging agents and antidepressant therapeutics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-06 US disclosed
WO-2007127262-A2 ENANTIOMERS OF 2'-FLUORALKYL-6-NITROQUIPAZINE AS SEROTONIN TRANSPORTER POSITRON EMISSION TOMOGRAPHY IMAGING AGENTS AND ANTIDEPRESSANT THERAPEUTICS THE UNIVERSITY OF MONTANA (US) 2007-11-08 WO 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 (2 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-20110009419-A1 Enantiomers of 2'-Fluoralkyl-6-nitroquipazine as Serotonin Transporter Positron Emission Tomography Imaging Agents and Antidepressant Therapeutics SLC6A4, SLC18A2, HTR6 KDM4E 3955/4885SLC6A4 1/4885CYP3A4 333/4885
US-20080058344-A1 Enantiomers of 2'-fluoralkyl-6-nitroquipazine as serotonin transporter positron emission tomography imaging agents and antidepressant therapeutics SLC6A4, SLC18A2, HTR3A KDM4E 3879/4885SLC6A4 1/4885CYP3A4 381/4885

“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.