SCHEMBL531643

SCHEMBL531643

COc1cc(F)c(C(C)C)cc1I

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.44
P2RX2 Q9UBL9 10/20 0.44
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 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
SCHEMBL5166833 0.84 P2RX3 (0.45) P2RX3P2RX2HTR2ACYP3A4POLB
SCHEMBL13059718 0.82 GAA (0.48) P2RX3P2RX2TSHRLMNAPOLB
SCHEMBL12190518 0.82 P2RX3 (0.48) P2RX3P2RX2LMNAPOLBGAA
SCHEMBL4071229 0.82 P2RX3 (0.55) P2RX3P2RX2HTR1AHTR2AHTR2C
SCHEMBL27264104 0.79 HTR2A (0.41) HTR1AHTR2AHTR2CHTR2BCYP1A2
SCHEMBL15028746 0.78 HTR2A (0.40) P2RX3P2RX2HTR1AHTR2AHTR2C
SCHEMBL171073 0.78 POLB (0.46) P2RX3P2RX2TSHRLMNAPOLB
SCHEMBL21142303 0.78 GAA (0.48) P2RX3P2RX2TSHRPOLBGAA
SCHEMBL24869455 0.77 GABRA1 (0.38)
SCHEMBL21594781 0.77 POLB (0.49) P2RX3P2RX2HTR1AHTR2AHTR2C

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114890856-B Method for synthesizing 2,2' -biphenyl-1-carboxylic acid derivative 华南理工大学 2023-08-22 CN disclosed
CN-114890856-A Method for synthesizing 2,2' -biphenyl-1-carboxylic acid derivative 华南理工大学 2022-08-12 CN disclosed
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
EP-2166847-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
US-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
WO-2007081570-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-07-19 WO disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 WO disclosed
WO-2007041494-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-04-12 WO disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
WO-2006014357-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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 (4 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP P2RX3 4449/4885P2RX2 4366/4885HTR1A 3040/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP P2RX3 4449/4885P2RX2 4366/4885HTR1A 3040/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP P2RX3 4449/4885P2RX2 4366/4885HTR1A 3040/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP P2RX3 4449/4885P2RX2 4366/4885HTR1A 3040/4885

“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.