SCHEMBL18503045

SCHEMBL18503045

Cc1[nH]c2ccccc2c1C1CCCNC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.72
KCNH2 Q12809 5/20 0.72
HTR2C P28335 4/20 0.72
DRD2 P14416 2/20 0.51
CCNT1 O60563 1/20 0.43
CCNK O75909 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
HDAC1 Q13547 1/20 0.43
AHR P35869 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 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
SCHEMBL29462 0.91 HTR2A (0.59) HTR2AKCNH2HTR2CAHRMGAM
SCHEMBL8525019 0.84 HTR2A (1.00) HTR2AKCNH2HTR2CDRD2
SCHEMBL8726509 0.83 LMNA (0.51) HTR2AKCNH2HTR2CDRD2HDAC1
SCHEMBL8316644 0.81 HTR2C (0.69) HTR2AKCNH2HTR2CAHRMGAM
SCHEMBL8524411 0.80 HTR2A (0.81) HTR2AKCNH2HTR2CDRD2
SCHEMBL7898453 0.79 HTR2A (0.57) HTR2AKCNH2HTR2CDRD2CCNT1
SCHEMBL16760180 0.79 HTR2A (0.57) HTR2AKCNH2HTR2CDRD2CCNT1
SCHEMBL723897 0.77 HTR2A (0.54) HTR2AKCNH2HTR2CDRD2GAA
Hydrochloric Acid SCHEMBL7261010 0.75 HTR2A (0.45) HTR2AKCNH2HTR2CDRD2HDAC1
SCHEMBL24171114 0.74 HTR2A (0.76) HTR2AKCNH2HTR2CDRD2HDAC1

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 5 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

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-11077120-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGES HTR2A 123/4885KCNH2 2291/4885HTR2C 181/4885
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGER1 HTR2A 115/4885KCNH2 2338/4885HTR2C 198/4885
US-20200085837-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 HTR2A 115/4885KCNH2 2338/4885HTR2C 198/4885
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 HTR2A 115/4885KCNH2 2338/4885HTR2C 198/4885

“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.