SCHEMBL5390976

SCHEMBL5390976

OCCC(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
TRPA1 O75762 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 5/20 0.38
OPRD1 P41143 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
AOC3 Q16853 1/20 0.35
MGLL Q99685 1/20 0.35
MEN1 O00255 2/20 0.35
ACP3 P15309 1/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL27571732 0.89 CNR2 (0.40) TSHRKMT2ANPSR1GAANPBWR1
SCHEMBL18079514 0.85 TSHR (0.50) TSHRKMT2ANPSR1GAANPBWR1
SCHEMBL18765554 0.85 TSHR (0.50) TSHRKMT2ANPSR1GAANPBWR1
SCHEMBL7637277 0.85 MAOB (0.40) TSHRKMT2ANPSR1GAANPBWR1
SCHEMBL5164752 0.82 HTR2A (0.47) TSHRKMT2ATRPA1ALDH1A1AOC3
SCHEMBL18793672 0.81 TSHR (0.42) TSHRALDH1A1OPRD1SIGMAR1AOC3
SCHEMBL4155106 0.81 CPA3 (0.47) TSHRKMT2AALDH1A1MEN1MAPT
SCHEMBL2038406 0.77 TSHR (0.46) TSHRKMT2ANPSR1GAANPBWR1
SCHEMBL11094516 0.77 TAAR1 (0.46) TSHRKMT2ANPSR1GAANPBWR1
SCHEMBL7925104 0.76 TSHR (0.49) TSHRKMT2ANPSR1GAANPBWR1

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-7189864-B2 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-03-13 US claimed
US-20050171366-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-08-04 US claimed
US-20020161234-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 2002-10-31 US claimed
EP-0855388-B1 Method for making intermediates useful in synthesis of retroviral protease inhibitors SEARLE & CO (US) 2002-03-06 EP claimed
EP-0730570-B1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 2000-04-19 EP claimed
US-6022996-A Method for making intermediates useful in synthesis of retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-02-08 US claimed
EP-0861233-A1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES G.D. SEARLE & CO. (US) 1998-09-02 EP claimed
WO-1997018190-A1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES G.D. SEARLE & CO. (US) 1997-05-22 WO claimed
EP-0730570-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-11 EP claimed
EP-0641333-B1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1996-08-14 EP claimed
WO-1995014653-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-01 WO claimed
EP-0641333-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS. SEARLE & CO (US) 1995-03-08 EP claimed
WO-1993023388-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1993-11-25 WO claimed
US-7192983-B2 Improving storage stability by reacting with hydrogen sulfate lithium- containing compound; aspartyl protease inhibitors G.D. SEARLE & CO. (US) 2007-03-20 US disclosed
US-20060240410-A1 Retroviral protease inhibitor combinations G.D. SEARLE & CO. (US) 2006-10-26 US disclosed
EP-1649871-A1 Retroviral protease inhibitor combinations G.D. Searle LLC. (US) 2006-04-26 EP disclosed
US-5705500-A HIV TREATMENT G.D. SEARLE & CO. (US) 1998-01-06 US disclosed
WO-1997018190-A1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES G.D. SEARLE & CO. (US) 1997-05-22 WO disclosed
EP-0762880-A1 RETROVIRAL PROTEASE INHIBITOR COMBINATIONS G.D. SEARLE & CO. (US) 1997-03-19 EP disclosed
WO-1995033464-A2 RETROVIRAL PROTEASE INHIBITOR COMBINATIONS G.D. SEARLE & CO. (US) 1995-12-14 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 (2 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-20020161234-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors PREP, DNPEP, ANPEP TSHR 4807/4885KMT2A 1531/4885NPSR1 3999/4885
US-20050171366-A1 Method of preparing intermediates useful in synthesis of retroviral protease inhibitors PREP, DNPEP, ANPEP TSHR 4807/4885KMT2A 1531/4885NPSR1 3999/4885

“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.