SCHEMBL9605402

SCHEMBL9605402

COc1ccccc1N1CCN(CCN(C(=O)C2CCC(CO)CC2)c2ccccn2)CC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.86
ADRA1A P35348 5/20 0.82
DRD4 P21917 4/20 0.82
ADRA1D P25100 4/20 0.82
ADRA1B P35368 4/20 0.82
CYP2D6 P10635 3/20 0.82
CYP3A4 P08684 2/20 0.82
TSHR P16473 2/20 0.82
HTR1B P28222 2/20 0.82
HTR7 P34969 2/20 0.82
HTR2B P41595 1/20 0.81
SMN1; SMN2 Q16637 2/20 0.75
MEN1 O00255 2/20 0.75
BLM P54132 2/20 0.75
PMP22 Q01453 2/20 0.75
KMT2A Q03164 2/20 0.75
LMNA P02545 1/20 0.75
ALDH1A1 P00352 1/20 0.64
CYP2C19 P33261 1/20 0.64
MTOR P42345 1/20 0.64

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
SCHEMBL12677610 1.00 HTR1A (0.86) HTR1AADRA1ADRD4ADRA1DADRA1B
SCHEMBL12677609 1.00 HTR1A (0.86) HTR1AADRA1ADRD4ADRA1DADRA1B
SCHEMBL9605385 0.92 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1DADRA1B
SCHEMBL15722836 0.92 HTR1A (0.84) HTR1AADRA1ADRD4ADRA1DADRA1B
SCHEMBL12677606 0.92 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1DADRA1B
SCHEMBL15709829 0.92 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1DADRA1B
SCHEMBL12677613 0.92 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1DADRA1B
SCHEMBL12677614 0.92 HTR1A (1.00) HTR1AADRA1ADRD4ADRA1DADRA1B
SCHEMBL13295823 0.91 HTR1A (0.85) HTR1AADRA1ADRD4ADRA1DADRA1B
SCHEMBL12677617 0.91 HTR1A (0.85) HTR1AADRA1ADRD4ADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133663-A1 NOVEL SYNTHESIS METHOD GE HEALTHCARE LIMITED (GB) 2015-05-14 US disclosed
US-20150133663-A1 NOVEL SYNTHESIS METHOD GE HEALTHCARE LIMITED (GB) 2015-05-14 US disclosed
US-20150133663-A1 NOVEL SYNTHESIS METHOD GE HEALTHCARE LIMITED (GB) 2015-05-14 US disclosed
US-20140140928-A1 5HT1A ANTAGONIST USEFUL FOR IN VIVO IMAGING GE HEALTHCARE LIMITED (GB) 2014-05-22 US disclosed
US-20140140928-A1 5HT1A ANTAGONIST USEFUL FOR IN VIVO IMAGING GE HEALTHCARE LIMITED (GB) 2014-05-22 US disclosed
US-20140140928-A1 5HT1A ANTAGONIST USEFUL FOR IN VIVO IMAGING GE HEALTHCARE LIMITED (GB) 2014-05-22 US disclosed
WO-2013041682-A1 NOVEL SYNTHESIS METHOD GE HEALTHCARE LIMITED (GB) 2013-03-28 WO disclosed
US-20120136152-A1 EFFICIENT SYNTHETIC METHOD OF 18F-MEFWAY PRECURSOR INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2012-05-31 US disclosed
US-20120136152-A1 EFFICIENT SYNTHETIC METHOD OF 18F-MEFWAY PRECURSOR INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2012-05-31 US disclosed
US-7731940-B2 N-(2-[4-(2-methoxyphenyl)piperazinyl]ethyl)-N-(2-pyridyl)-N-(4-18F-fluoro-methylcyclohexane)carboxamide, used for treating panic, bipolar or seizure disorders, and as a quantitative tool for measuring serotonin concentration in the brain THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-08 US disclosed
US-20070196271-A1 COMPOSITIONS AND METHODS RELATED TO SEROTONIN 5-HT1A RECEPTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 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 (4 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-20070196271-A1 COMPOSITIONS AND METHODS RELATED TO SEROTONIN 5-HT1A RECEPTORS HTR5A, HTR1A, HTR7 HTR1A 2/4885ADRA1A 53/4885DRD4 77/4885
US-20120136152-A1 EFFICIENT SYNTHETIC METHOD OF 18F-MEFWAY PRECURSOR FTO, SLC7A5, CYP3A5 HTR1A 1516/4885ADRA1A 1746/4885DRD4 3040/4885
US-20150133663-A1 NOVEL SYNTHESIS METHOD HTR1A, HTR5A, TPH1 HTR1A 1/4885ADRA1A 137/4885DRD4 41/4885
US-20140140928-A1 5HT1A ANTAGONIST USEFUL FOR IN VIVO IMAGING HTR1A, HTR1E, HTR5A HTR1A 1/4885ADRA1A 30/4885DRD4 150/4885

“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.