SCHEMBL29462

SCHEMBL29462

Cc1[nH]c2ccccc2c1C1CCNC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.59
HTR2C P28335 5/20 0.59
KCNH2 Q12809 3/20 0.59
AHR P35869 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL18503045 0.91 HTR2A (0.72) HTR2AHTR2CKCNH2AHRMGAM
SCHEMBL8316644 0.90 HTR2C (0.69) HTR2AHTR2CKCNH2AHRMGAM
SCHEMBL4077282 0.82 HTR2C (0.44) HTR2AHTR2CKCNH2
SCHEMBL8726509 0.79 LMNA (0.51) HTR2AHTR2CKCNH2AHRMGAM
SCHEMBL1486892 0.77 KCNH2 (0.42) HTR2AHTR2CKCNH2AHRMGAM
SCHEMBL6640509 0.75 HTR2A (0.47) HTR2AHTR2CKCNH2AHRMGAM
SCHEMBL8525019 0.75 HTR2A (1.00) HTR2AHTR2CKCNH2
SCHEMBL7962369 0.73 HTR2A (1.00) HTR2AHTR2CKCNH2
SCHEMBL4077380 0.73 HTR2C (0.51) HTR2AHTR2CKCNH2ADRB2
SCHEMBL31060925 0.73 HTR2A (1.00) HTR2AHTR2CKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11077120-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2021-08-03 US disclosed
US-20200085837-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto UNIV EMORY (US) 2020-03-19 US disclosed
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2020-02-25 US disclosed
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-16 US disclosed
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-16 US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 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 (6 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 HTR2A 2046/4885HTR2C 2413/4885KCNH2 2891/4885
US-11077120-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGES HTR2A 123/4885HTR2C 181/4885KCNH2 2291/4885
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGER1 HTR2A 115/4885HTR2C 198/4885KCNH2 2338/4885
US-20200085837-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 HTR2A 115/4885HTR2C 198/4885KCNH2 2338/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HTR2A 1939/4885HTR2C 2308/4885KCNH2 3187/4885
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 HTR2A 115/4885HTR2C 198/4885KCNH2 2338/4885

“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.