SCHEMBL12290349

SCHEMBL12290349

CC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)cc2cnn(COCC[Si](C)(C)C)c12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
JAK2 O60674 5/20 0.33
JAK1 P23458 5/20 0.33
F2RL1 P55085 1/20 0.33
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
DGAT1 O75907 1/20 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
SCHEMBL2427126 0.92 DGAT1 (0.33) TACR1DGAT1
SCHEMBL12290351 0.86 TACR1 (0.37) TACR1CNR1CNR2HDAC1HDAC2
SCHEMBL2428513 0.83 TACR1 (0.35) TACR1CNR1CNR2HDAC1HDAC2
SCHEMBL2426430 0.83 TACR1 (0.35) TACR1CNR1CNR2HDAC1HDAC2
SCHEMBL2431447 0.82 TACR1 (0.36) TACR1CNR1CNR2HDAC1HDAC2
SCHEMBL2431443 0.82 TACR1 (0.36) TACR1CNR1CNR2HDAC1HDAC2
SCHEMBL2426754 0.81 TACR1 (0.39) TACR1CNR1CNR2HDAC1HDAC2
SCHEMBL2428859 0.81 JAK2 (0.38) TACR1HDAC1HDAC2JAK2JAK1
SCHEMBL2428860 0.81 JAK2 (0.38) TACR1HDAC1HDAC2JAK2JAK1
SCHEMBL2429952 0.80 TACR1 (0.35) TACR1CNR1CNR2HDAC1HDAC2

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-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 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-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 TACR1 835/4885CNR1 1/4885CNR2 2/4885

“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.