SCHEMBL3775758

SCHEMBL3775758

Cc1c[c]ccc1C1CCC(CO)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.41
ESR2 Q92731 6/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.37
HTR2C P28335 2/20 0.34
OPRL1 P41146 6/20 0.32

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
SCHEMBL456696 0.86 HTR2C (0.38) HTR2C
SCHEMBL3863432 0.81 ESR2 (0.36) ESR2HTR2COPRL1
SCHEMBL3773179 0.81 ESR1 (0.41) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL1815764 0.78 HTR2C (0.58) HTR2C
SCHEMBL28694986 0.76 HTR2C (0.59) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL18640064 0.76 HTR2C (0.59) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL1810814 0.76 SLC18A3 (0.48) OPRL1
SCHEMBL3762171 0.74 ESR2 (0.44) ESR2HTR2C
SCHEMBL458052 0.73 HTR2C (0.39) HTR2C
SCHEMBL3775718 0.71 HTR2C (0.31) HTR2C

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 ESR1 1868/4885ESR2 1107/4885CYP3A4 97/4885

“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.