Sugi Predict

Sugi Predict / Compounds / SCHEMBL2433910

SCHEMBL2433910

SCHEMBL2433910

C[C@H](OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2c(Cl)n[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.39
▸ PARP1 P09874 6/20 0.39
▸ TNKS O95271 3/20 0.39
▸ TNKS2 Q9H2K2 3/20 0.39
▸ CNR1 P21554 2/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ CYP3A5 P20815 2/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ RORC P51449 2/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ KDM1A O60341 1/20 0.34

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
SCHEMBL2429107 1.00 TACR1 (0.39) TACR1PARP1TNKSTNKS2CNR1
SCHEMBL2429106 1.00 TACR1 (0.39) TACR1PARP1TNKSTNKS2CNR1
SCHEMBL13961362 0.93 TACR1 (0.39) TACR1PARP1TNKSTNKS2CNR1
SCHEMBL2489300 0.93 TACR1 (0.39) TACR1PARP1TNKSTNKS2CNR1
SCHEMBL2489298 0.93 TACR1 (0.39) TACR1PARP1TNKSTNKS2CNR1
SCHEMBL2428449 0.92 TACR1 (0.38) TACR1PARP1TNKSTNKS2CNR1
SCHEMBL2424821 0.92 TACR1 (0.38) TACR1PARP1TNKSTNKS2CNR1
SCHEMBL12290809 0.92 TACR1 (0.38) TACR1PARP1TNKSTNKS2CNR1
SCHEMBL12290876 0.92 TACR1 (0.46) TACR1PARP1TNKSTNKS2CNR1
SCHEMBL2430778 0.91 TACR1 (0.38) TACR1PARP1TNKSTNKS2CNR1

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 8 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-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 — — US disclosed
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
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 — — US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 — — US disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 — — WO disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 — — 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-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 TACR1 835/4885PARP1 4212/4885TNKS 4282/4885

“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.