SCHEMBL2424017

SCHEMBL2424017

CC(OCC1(c2ccc(F)cc2)CCN(C(=O)O)CC1)c1cc(N2CCOCC2)cc2cn[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.35
CALCRL Q16602 1/20 0.34
LMNA P02545 1/20 0.33
CALCA P06881 1/20 0.33
MAPK1 P28482 2/20 0.33
NAMPT P43490 1/20 0.33
METAP2 P50579 1/20 0.32
TNIK Q9UKE5 1/20 0.32
CYP3A4 P08684 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
AKR1C3 P42330 1/20 0.32
FAAH O00519 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 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
SCHEMBL12290372 0.91 ACACB (0.41) ACACBCALCRLNAMPT
SCHEMBL12289768 0.90 TACR1 (0.40)
SCHEMBL2424220 0.89 ACACB (0.39) ACACBCALCRL
SCHEMBL12290380 0.88 TACR1 (0.36) CALCRLLMNAMAPK1METAP2TNIK
SCHEMBL2429704 0.86 ACACB (0.39) ACACBCALCRL
SCHEMBL2431280 0.86 ACACB (0.37) ACACBMETAP2
SCHEMBL2430881 0.86 ACACB (0.39) ACACB
SCHEMBL2426409 0.84 ACACB (0.36) ACACB
SCHEMBL2429411 0.84 TACR1 (0.42)
SCHEMBL2424792 0.84 TACR1 (0.41) ACACBCALCRL

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-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
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 2419/4885CALCRL 4063/4885LMNA 2814/4885

“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.