SCHEMBL5753716

SCHEMBL5753716

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1cccc2ccccc12)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.43
TACR1 P25103 2/20 0.42
KCNJ11 Q14654 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
METAP2 P50579 2/20 0.41
METAP1 P53582 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ8 Q15842 1/20 0.39
ACKR3 P25106 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL5755248 0.84 PIN1 (0.48) DRD4TACR1KCNJ11ALDH1A1GAA
SCHEMBL5751363 0.81 DRD4 (0.51) DRD4RXFP1ALDH1A1HPGD
SCHEMBL5749156 0.80 PIN1 (0.45) DRD4TACR1KCNJ11LMNAMEN1
SCHEMBL5753157 0.79 UGCG (0.41) TACR1LMNAMEN1KMT2ARXFP1
SCHEMBL5750265 0.79 UGCG (0.41) TACR1LMNAMEN1KMT2ARXFP1
SCHEMBL5752865 0.78 PIN1 (0.57) DRD4KCNJ11
SCHEMBL5752726 0.78 UGCG (0.41) TACR1MEN1KMT2ACCR5
SCHEMBL5751032 0.77 MCHR1 (0.47) DRD4KCNJ11GAA
SCHEMBL5751679 0.74 PPARG (0.44) DRD4GAA
SCHEMBL5751577 0.73 RAB9A (0.39) LMNAGAARAB9A

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-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP DRD4 1838/4885TACR1 2291/4885KCNJ11 3921/4885

“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.