SCHEMBL3775713

SCHEMBL3775713

Cc1ccc[c]c1[C@H]1CC[C@@](C)(N)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL3762169 0.84 ESR2 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3760406 0.83 KDM1A (0.33) KDM1AMAOBALDH1A1TDP1
SCHEMBL458991 0.82 HTR2C (0.34)
SCHEMBL1814519 0.79 HTR2C (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1816231 0.78 SIGMAR1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27657795 0.75 HTR2C (0.53) KDM1ASIGMAR1
SCHEMBL3775753 0.71 ESR1 (0.41)
SCHEMBL2033942 0.69 HTR2C (0.46)
SCHEMBL3775718 0.68 HTR2C (0.31) KDM1AMAOBALDH1A1TDP1
SCHEMBL3760151 0.67 ESR2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846933-B2 such as 1-(4-Fluorophenyl)-5-(pyridin-4-yl)-4-imidazolin-2-one, having excellent p38 MAP kinase inhibitory action, useful for the treatment of osteoarthritis, arthritis, ulcerative colitis, Crohn's disease, psoriasis, dermatitis, asthma, bronchitis, pneumonia, rhinitis, conjunctivitis or keratitis MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-07 US disclosed
US-20090088422-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS KUBO AKIRA 2009-04-02 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 (1 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-20090088422-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS OR10J3, NR4A3, NR3C2 KDM1A 2178/4885MAOB 2094/4885ALDH1A1 1391/4885

“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.