SCHEMBL1324786

SCHEMBL1324786

CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(N)c2)C(=O)O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.58
NR1I2 O75469 1/20 0.58
ABCB11 O95342 1/20 0.58
PGR P06401 1/20 0.58
CTSD P07339 1/20 0.58
CHRM2 P08172 1/20 0.58
ADRA2A P08913 1/20 0.58
PGA5 P0DJD9 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CTSE P14091 1/20 0.58
GABRA1 P14867 1/20 0.58
ADRA2C P18825 1/20 0.58
DRD1 P21728 1/20 0.58
HTR2A P28223 1/20 0.58
AGTR1 P30556 1/20 0.58
CCKAR P32238 1/20 0.58
ADRA1A P35348 1/20 0.58
PTGS2 P35354 1/20 0.58
PPARG P37231 1/20 0.58
OPRD1 P41143 1/20 0.58

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
SCHEMBL1324788 1.00 MLNR (0.58) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL6958382 1.00 MLNR (0.58) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL6954624 1.00 MLNR (0.58) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL6957401 1.00 MLNR (0.58) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL6948749 0.93 MLNR (0.49) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL6174510 0.90 OPRD1 (0.58) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL7741786 0.88 OPRD1 (0.56) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL6957092 0.88 MLNR (0.49) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL12103377 0.86 MLNR (0.64) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL5909105 0.86 OPRD1 (0.68) MLNRNR1I2ABCB11PGRCTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184989-A1 De Novo Synthesis of Conjugates NEKTAR THERAPEUTICS (US) 2010-07-22 US claimed
JP-2010521465-A 2010-06-24 JP claimed
EP-2125027-A2 DE NOVO SYNTHESIS OF CONJUGATES Nektar Therapeutics (US) 2009-12-02 EP claimed
WO-2008112286-A9 DE NOVO SYNTHESIS OF CONJUGATES NEKTAR THERAPEUTICS AL CORP (US) 2008-12-18 WO claimed
WO-2008112286-A2 DE NOVO SYNTHESIS OF CONJUGATES NEKTAR THERAPEUTICS (US) 2008-09-18 WO claimed
CN-116730993-A Teranavir intermediate and preparation method of Teranavir 浙江科技学院 2023-09-12 CN disclosed
EP-2522367-B1 Oligomer-protease inhibitor conjugates NEKTAR THERAPEUTICS (US) 2016-01-20 EP disclosed
EP-2522367-B1 Oligomer-protease inhibitor conjugates NEKTAR THERAPEUTICS (US) 2016-01-20 EP disclosed
US-9107956-B2 Oligomer-protease inhibitor conjugates NEKTAR THERAPEUTICS (US) 2015-08-18 US disclosed
US-9107956-B2 Oligomer-protease inhibitor conjugates NEKTAR THERAPEUTICS (US) 2015-08-18 US disclosed
US-9107956-B2 Oligomer-protease inhibitor conjugates NEKTAR THERAPEUTICS (US) 2015-08-18 US disclosed
EP-2131865-B1 OLIGOMER-PROTEASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS (US) 2014-12-17 EP disclosed
WO-2008112286-A2 DE NOVO SYNTHESIS OF CONJUGATES NEKTAR THERAPEUTICS (US) 2008-09-18 WO disclosed
WO-2008112286-A2 DE NOVO SYNTHESIS OF CONJUGATES NEKTAR THERAPEUTICS (US) 2008-09-18 WO disclosed
WO-2008112289-A2 OLIGOMER-PROTEASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS (US) 2008-09-18 WO disclosed
US-20070218486-A1 Immunoassays, Haptens, Immunogens and Antibodies for Anti-HIV Therapeutics ARK DIAGNOSTICS, INC. (US) 2007-09-20 US disclosed
US-20070218486-A1 Immunoassays, Haptens, Immunogens and Antibodies for Anti-HIV Therapeutics ARK DIAGNOSTICS, INC. (US) 2007-09-20 US disclosed
WO-2007103740-A2 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS ARK DIAGNOSTICS (US) 2007-09-13 WO disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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 (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-20100184989-A1 De Novo Synthesis of Conjugates ABCG2, UGT1A8, SLC7A5 MLNR 367/4885NR1I2 2182/4885ABCB11 59/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 MLNR 4092/4885NR1I2 4255/4885ABCB11 2761/4885

“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.