SCHEMBL7945756

SCHEMBL7945756

CC[C@H](c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1)[C@@H](C(C)=O)C(=O)N1C(=O)OC[C@H]1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ PTPN1 P18031 2/20 0.35
▸ IL6ST P40189 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NAAA Q02083 2/20 0.32
▸ FAAH O00519 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 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
SCHEMBL6950257 1.00 CRHBP (0.39) CRHBPCRHR2PTPN1IL6STALDH1A1
SCHEMBL6950253 1.00 CRHBP (0.39) CRHBPCRHR2PTPN1IL6STALDH1A1
SCHEMBL6950922 1.00 CRHBP (0.39) CRHBPCRHR2PTPN1IL6STALDH1A1
SCHEMBL6956827 1.00 CRHBP (0.39) CRHBPCRHR2PTPN1IL6STALDH1A1
SCHEMBL6956993 0.88 CRHBP (0.32) CRHBPCRHR2PTPN1IL6STALDH1A1
SCHEMBL8725159 0.87 NAAA (0.35) CRHBPCRHR2PTPN1IL6STNAAA
SCHEMBL6957774 0.87 NAAA (0.35) CRHBPCRHR2PTPN1IL6STNAAA
SCHEMBL6956723 0.86 AVPR1A (0.37) CRHBPCRHR2PTPN1IL6STALDH1A1
SCHEMBL6954293 0.86 AVPR1A (0.37) CRHBPCRHR2PTPN1IL6STALDH1A1
SCHEMBL6947001 0.85 CRHBP (0.31) CRHBPCRHR2IL6STNAAAFAAH

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-20170028077-A1 PROTEASE INHIBITORS HAVING ENHANCED FEATURES NEKTAR THERAPEUTICS 2017-02-02 — — US disclosed
US-20170028077-A1 PROTEASE INHIBITORS HAVING ENHANCED FEATURES NEKTAR THERAPEUTICS 2017-02-02 — — US disclosed
US-20120108501-A1 Protease Inhibitors NEKTAR THERAPEUTICS (US) 2012-05-03 — — US disclosed
US-20110195940-A1 Protease Inhibitors Having Enhanced Features NEKTAR THERAPEUTICS (CA) 2011-08-11 — — US disclosed
WO-2010033219-A2 PROTEASE INHIBITORS HAVING ENHANCED FEATURES NEKTAR THERAPEUTICS (US) 2010-03-25 — — WO disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 — — US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 — — US 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-20170028077-A1 PROTEASE INHIBITORS HAVING ENHANCED FEATURES SERPINB1, SPINT2, TMPRSS15 CRHBP 1582/4885CRHR2 3490/4885PTPN1 2578/4885
US-20110195940-A1 Protease Inhibitors Having Enhanced Features CYP3A43, HPN, ANPEP CRHBP 4180/4885CRHR2 4744/4885PTPN1 1382/4885
US-20120108501-A1 Protease Inhibitors DNPEP, ADAM17, PREP CRHBP 945/4885CRHR2 3580/4885PTPN1 1157/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 CRHBP 3688/4885CRHR2 4877/4885PTPN1 3330/4885

“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.

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