SCHEMBL5406966

SCHEMBL5406966

CC(CO)c1ccccc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.42
▸ TSHR P16473 3/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PGR P06401 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ AR P10275 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL11160283 0.79 NR3C1 (0.43) NR3C1TSHRCYP2C19KMT2AMEN1
SCHEMBL11041424 0.78 HSP90AA1 (0.40) NR3C1TSHRTRPA1CYP2C19KMT2A
SCHEMBL1533790 0.77 TSHR (0.48) NR3C1TSHRCYP2C19ADRA2BADRA2C
SCHEMBL9749583 0.75 TSHR (0.50) NR3C1TSHRCYP2C19KMT2APGR
SCHEMBL7148219 0.73 TSHR (0.54) NR3C1TSHRCYP2C19PGRNR3C2
SCHEMBL3043989 0.73 TSHR (0.50) TSHRTRPA1SLC6A2ALDH1A1HPGD
SCHEMBL11872119 0.71 TRPA1 (0.46) NR3C1TSHRTRPA1CYP2C19KMT2A
SCHEMBL4971557 0.70 TSHR (0.42) NR3C1TSHRTRPA1CYP2C19KMT2A
SCHEMBL7405137 0.70 NR3C1 (0.39) NR3C1KMT2AMEN1PGRNR3C2
SCHEMBL11348653 0.70 TSHR (0.41) NR3C1TSHRCYP2C19ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226932-B2 Self-emulsifying drug delivery system G.D. SEARLE LLC (US) 2007-06-05 — — US disclosed
US-7189864-B2 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-03-13 — — US disclosed
US-20060270855-A1 Methods of preparing retroviral proteases inhibitor intermediates G.D. SEARLE & CO. (US) 2006-11-30 — — US disclosed
US-7060851-B2 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. (US) 2006-06-13 — — US disclosed
US-6974876-B2 Method for preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-12-13 — — US disclosed
US-20050171366-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-08-04 — — US disclosed
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. (US) 2005-06-16 — — US disclosed
US-6849760-B2 Method of preparing retroviral protease inhibitor intermediates G. D. SEARLE & CO. (US) 2005-02-01 — — US disclosed
US-20040048934-A1 Self-emulsifying drug delivery system G.D. SEARLE & CO. 2004-03-11 — — US disclosed
US-20030225285-A1 Method for preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. 2003-12-04 — — US disclosed
EP-0804410-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1997-11-05 — — EP disclosed
US-5648511-A Method for making intermediates useful in the synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 1997-07-15 — — US disclosed
EP-0769936-A1 SELF-EMULSIFYING DRUG DELIVERY SYSTEM G.D. SEARLE & CO. (US) 1997-05-02 — — EP disclosed
EP-0730570-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-11 — — EP disclosed
EP-0641333-B1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1996-08-14 — — EP disclosed
WO-1996022275-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1996-07-25 — — WO disclosed
WO-1996003113-A1 SELF-EMULSIFYING DRUG DELIVERY SYSTEM G.D. SEARLE & CO. (US) 1996-02-08 — — WO disclosed
WO-1995014653-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-01 — — WO disclosed
EP-0641333-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS. SEARLE & CO (US) 1995-03-08 — — EP disclosed
WO-1993023388-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1993-11-25 — — 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 (5 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-20030225285-A1 Method for preparing intermediates useful in synthesis of retroviral protease inhibitors PREP, DNPEP, ANPEP NR3C1 4064/4885TSHR 4812/4885TRPA1 4868/4885
US-20060270855-A1 Methods of preparing retroviral proteases inhibitor intermediates ACE, REN, MME NR3C1 3762/4885TSHR 4576/4885TRPA1 4755/4885
US-20050171366-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors PREP, DNPEP, ANPEP NR3C1 4067/4885TSHR 4807/4885TRPA1 4863/4885
US-20040048934-A1 Self-emulsifying drug delivery system LIPA, CEL, LSS NR3C1 3928/4885TSHR 4205/4885TRPA1 4697/4885
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME NR3C1 3895/4885TSHR 4635/4885TRPA1 4722/4885

“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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