SCHEMBL701071

SCHEMBL701071

[CH2]CNc1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.47
MEN1 O00255 3/20 0.47
CYP3A4 P08684 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 1/20 0.47
AHR P35869 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.44
STING1 Q86WV6 5/20 0.42
HTR2A P28223 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTR1A P08908 1/20 0.42
HTT P42858 1/20 0.42
CYP2D6 P10635 2/20 0.42
MPO P05164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR1D P28221 1/20 0.42

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
SCHEMBL30753171 0.81 HTR2A (0.51) GPR84MEN1CYP3A4KMT2AMAPT
SCHEMBL1260955 0.81 HTR2A (0.51) GPR84MEN1CYP3A4KMT2AMAPT
SCHEMBL178066 0.80 HTR1A (0.48) GPR84MEN1CYP3A4KMT2AMAPT
SCHEMBL28087844 0.78 HTR2A (0.51) GPR84MEN1CYP3A4KMT2AMAPT
SCHEMBL27469930 0.78 EIF2AK2 (0.51) GPR84MEN1CYP3A4KMT2AMAPT
SCHEMBL7507194 0.78 HTR2A (0.49) GPR84MEN1CYP3A4KMT2AMAPT
SCHEMBL2278702 0.78 KDR (0.52) GPR84MEN1CYP3A4KMT2AMAPT
SCHEMBL29611671 0.78 HTR2A (0.49) GPR84MEN1CYP3A4KMT2AMAPT
SCHEMBL28420595 0.78 ATM (0.48) GPR84MEN1CYP3A4KMT2AMAPT
SCHEMBL6654114 0.77 ATM (0.52) GPR84MEN1CYP3A4KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710047-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-21 US disclosed
CN-102046176-B 5-HT3Receptor modulators, methods of preparation and uses thereof ALBANY MOLECULAR RES INC 2013-08-07 CN disclosed
US-8501729-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-08-06 US disclosed
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-30 US disclosed
US-8124600-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-28 US disclosed
CN-102046176-A 5-HT3Receptor modulators, methods of preparation and uses thereof ALBANY MOLECULAR RES INC 2011-05-04 CN disclosed
EP-2310019-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2011-04-20 EP disclosed
WO-2009155054-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-23 WO disclosed
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-03 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-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B GPR84 171/4885MEN1 2184/4885CYP3A4 423/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B GPR84 171/4885MEN1 2184/4885CYP3A4 423/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B GPR84 171/4885MEN1 2184/4885CYP3A4 423/4885

“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.