SCHEMBL4236266

SCHEMBL4236266

CN1CC=C(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.65
HTR6 P50406 1/20 0.47
SIGMAR1 Q99720 2/20 0.46

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
SCHEMBL4233609 0.80 SIGMAR1 (0.60) SIGMAR1
SCHEMBL23448820 0.80 QDPR (0.56) QDPR
SCHEMBL7229539 0.80 ALDH1A1 (0.50) QDPRSIGMAR1
SCHEMBL4233673 0.80 SIGMAR1 (0.52) SIGMAR1
SCHEMBL4231835 0.80 KCNH2 (0.52) QDPRSIGMAR1
Fumaric Acid SCHEMBL11554241 0.80 QDPR (0.59) QDPRHTR6
Maleic Acid SCHEMBL11554237 0.80 QDPR (0.59) QDPRHTR6
SCHEMBL13490343 0.79 P4HA1 (0.51) QDPRHTR6
SCHEMBL13898494 0.79 QDPR (0.68) QDPRHTR6
SCHEMBL8382616 0.79 QDPR (1.00) QDPR

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-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
EP-4066896-A1 G9A INHIBITOR RIKEN (JP) 2022-10-05 EP disclosed
WO-2021106988-A1 G9a INHIBITOR 杏林製薬株式会社 2021-06-03 WO disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
WO-2007007072-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2007-01-18 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 (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-20090029979-A1 5-HTX MODULATORS HTR7, HTR5A, HTR2C QDPR 535/4885HTR6 8/4885SIGMAR1 161/4885
US-20230127046-A1 G9a INHIBITOR EZH2, BMI1, DOT1L QDPR 3090/4885HTR6 3379/4885SIGMAR1 2525/4885
US-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R QDPR 248/4885HTR6 176/4885SIGMAR1 303/4885

“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.