SCHEMBL4572663

SCHEMBL4572663

C[C@@H]1CCC2=C(C1)OC(=O)[C@H]2C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.31
CRBN Q96SW2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2A6 P11509 2/20 0.30
CYP2A13 Q16696 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL4572668 1.00 CNR2 (0.31) CNR2CRBNMEN1KMT2ACYP2A6
SCHEMBL4572667 1.00 CNR2 (0.31) CNR2CRBNMEN1KMT2ACYP2A6
SCHEMBL7541027 1.00 CNR2 (0.31) CNR2CRBNMEN1KMT2ACYP2A6
SCHEMBL4572664 1.00 CNR2 (0.31) CNR2CRBNMEN1KMT2ACYP2A6
SCHEMBL6756999 1.00 CNR2 (0.31) CNR2CRBNMEN1KMT2ACYP2A6
SCHEMBL9170533 0.68 CRBN (0.33) CNR2CRBNCYP2A6CYP2A13ALDH1A1
SCHEMBL9170854 0.68 CRBN (0.33) CNR2CRBNCYP2A6CYP2A13ALDH1A1
SCHEMBL2474875 0.64 TSHR (0.46) CNR2CRBNCYP2A6CYP2A13ALDH1A1
SCHEMBL19366475 0.64 CYP2A6 (0.32) CYP2A6CYP2A13ALDH1A1TSHR
SCHEMBL12985257 0.64 CYP2A6 (0.32) CYP2A6CYP2A13ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
US-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
WO-2012054527-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 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 (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-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 CNR2 164/4885CRBN 1037/4885MEN1 3628/4885

“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.