SCHEMBL5474181

SCHEMBL5474181

O=C(NC1CC(CCOCc2ccccc2)Nc2ccc(C(F)(F)F)cc21)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.41
MGLL Q99685 1/20 0.41
KCNQ2 O43526 1/20 0.40
HSD17B2 P37059 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
NAAA Q02083 3/20 0.38
KIF11 P52732 1/20 0.38
TSHR P16473 1/20 0.38
CCR2 P41597 2/20 0.37
CCR3 P51677 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL14597712 1.00 TACR1 (0.41) TACR1MGLLKCNQ2HSD17B2LIPG
SCHEMBL14628402 0.92 HSD17B2 (0.41) TACR1MGLLKCNQ2HSD17B2NAAA
SCHEMBL1176585 0.89 TACR1 (0.42) TACR1MGLLKCNQ2HSD17B2NAAA
SCHEMBL1176581 0.89 TACR1 (0.42) TACR1MGLLKCNQ2HSD17B2NAAA
SCHEMBL5820901 0.89 TACR1 (0.42) TACR1MGLLKCNQ2HSD17B2NAAA
SCHEMBL1176583 0.89 TACR1 (0.42) TACR1MGLLKCNQ2HSD17B2NAAA
SCHEMBL2706185 0.89 TACR1 (0.42) TACR1MGLLKCNQ2HSD17B2NAAA
SCHEMBL6181877 0.85 TACR1 (0.44) TACR1MGLLKCNQ2NAAAKIF11
SCHEMBL6181879 0.85 TACR1 (0.44) TACR1MGLLKCNQ2NAAAKIF11
SCHEMBL6181885 0.85 TACR1 (0.44) TACR1MGLLKCNQ2NAAAKIF11

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-20070004774-A1 Cept inhibitors and metabolites thereof PFIZER INC. 2007-01-04 US disclosed
EP-1670765-A2 CETP INHIBITORS AND METABOLITES THEREOF Pfizer Products Inc. (US) 2006-06-21 EP disclosed
WO-2005033082-A2 CETP INHIBITORS AND METABOLITES THEREOF PFIZER PRODUCTS INC. (US) 2005-04-14 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-20070004774-A1 Cept inhibitors and metabolites thereof CETP, LCAT, MTTP TACR1 1028/4885MGLL 425/4885KCNQ2 3229/4885

“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.