Sugi Predict

Sugi Predict / Compounds / SCHEMBL2431416

SCHEMBL2431416

SCHEMBL2431416

CN(C)C(=O)C(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2cn[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 7/20 0.41
▸ TACR1 P25103 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ CYP3A5 P20815 2/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ MDM4 O15151 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ CCR5 P51681 1/20 0.33

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
SCHEMBL2430695 0.92 ACACB (0.43) ACACBTACR1NAMPTCYP3A4CYP3A5
SCHEMBL2426604 0.91 ACACB (0.33) ACACBTACR1
SCHEMBL2426511 0.91 ACACB (0.42) ACACBTACR1NAMPTCYP3A4CYP3A5
SCHEMBL12289873 0.90 TACR1 (0.40) TACR1
SCHEMBL2424824 0.89 ACACB (0.44) ACACBTACR1NAMPTCYP3A4CYP3A5
SCHEMBL2430727 0.89 ACACB (0.44) ACACBTACR1NAMPTCYP3A4CYP3A5
SCHEMBL2424822 0.89 ACACB (0.44) ACACBTACR1NAMPTCYP3A4CYP3A5
SCHEMBL2430951 0.87 ACACB (0.43) ACACBTACR1NAMPTCYP3A4CYP3A5
SCHEMBL2424361 0.87 ACACB (0.43) ACACBTACR1NAMPTCYP3A4CYP3A5
SCHEMBL2424900 0.87 ACACB (0.43) ACACBTACR1NAMPTCYP3A4CYP3A5

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 ACACB 2419/4885TACR1 835/4885NAMPT 3492/4885

“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.