SCHEMBL646451

SCHEMBL646451

CCOC(=O)C1(C(Cl)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
TACR1 P25103 1/20 0.45
GPR119 Q8TDV5 3/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ENPP2 Q13822 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MGLL Q99685 1/20 0.39
TGFBR1 P36897 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP13 P45452 1/20 0.38
RORC P51449 1/20 0.38
NR3C1 P04150 1/20 0.38

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
SCHEMBL645190 0.88 MAPT (0.47) MAPTTACR1GPR119HPGDSMN1; SMN2
SCHEMBL5012787 0.85 MAPT (0.51) MAPTTACR1GPR119JAK2JAK1
SCHEMBL29716454 0.81 KMT2A (0.50) MAPTTACR1ALDH1A1MEN1KMT2A
SCHEMBL1282206 0.80 SMN1; SMN2 (0.42) TACR1HPGDSMN1; SMN2ALDH1A1
SCHEMBL645638 0.78 OPRM1 (0.46) MAPTTACR1HPGDSMN1; SMN2ALDH1A1
SCHEMBL2206945 0.75 SMN1; SMN2 (0.46) GPR119HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5562721 0.74 MAPT (0.41) MAPTTACR1GPR119HPGDSMN1; SMN2
SCHEMBL6795066 0.73 MAPT (0.55) MAPTTACR1GPR119RORC
SCHEMBL24484249 0.73 MAPT (0.52) MAPTTACR1GPR119JAK2JAK1
SCHEMBL619446 0.72 SMN1; SMN2 (0.44) TACR1HPGDSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP disclosed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 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-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 MAPT 4642/4885TACR1 321/4885GPR119 777/4885

“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.