SCHEMBL3758994

SCHEMBL3758994

OC[C@H]1CC[C@H](c2[c]ccc(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.41
ESR2 Q92731 6/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.37
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PDE10A Q9Y233 3/20 0.33
CYP2C19 P33261 1/20 0.31
OPRL1 P41146 2/20 0.31

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
SCHEMBL4075115 0.86 PTGS1 (0.31)
SCHEMBL3770026 0.81 ESR2 (0.36) ESR2PSEN1PSEN2APH1BNCSTN
SCHEMBL3764985 0.81 ESR2 (0.36) ESR2PSEN1PSEN2APH1BNCSTN
SCHEMBL19595794 0.79 ABCC8 (0.31)
SCHEMBL9730874 0.79 PTGDR2 (0.33)
SCHEMBL27657802 0.78 SLC6A2 (0.39)
SCHEMBL433060 0.78 PTGDR2 (0.35) OPRL1
SCHEMBL7838303 0.78 PTGDR2 (0.35) OPRL1
SCHEMBL3766569 0.74 DPP4 (0.31)
SCHEMBL3769996 0.73 ESR2 (0.42) ESR2

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.