SCHEMBL752044

SCHEMBL752044

CCOC(=O)N[C@@H]1CC[C@@H]2C(C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 20/20 0.56
ABCB11 O95342 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
SLC6A2 P23975 1/20 0.53
GPR183 P32249 1/20 0.53
OPRM1 P35372 1/20 0.53
KCNH2 Q12809 1/20 0.53
GPR35 Q9HC97 1/20 0.53

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
SCHEMBL471183 1.00 F2R (0.56) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL14203696 1.00 F2R (0.56) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL13199852 1.00 F2R (0.56) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL13090681 0.92 F2R (0.56) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL13199859 0.92 F2R (0.56) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL752041 0.92 F2R (0.56) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL13480175 0.91 F2R (0.55) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL14203695 0.86 F2R (0.62) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL13603617 0.86 F2R (0.58) F2RABCB11ADORA3CHRM1SLC6A2
SCHEMBL471689 0.86 F2R (0.62) F2RABCB11ADORA3CHRM1SLC6A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302745-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS THIRUVENGADAM TIRUVETTIPURAM K (US) 2012-11-29 US disclosed
US-8273790-B2 Exo-selective synthesis of himbacine analogs SCHERING CORPORATION (US) 2012-09-25 US disclosed
US-20120142914-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS TOPROL ACQUISITION LLC 2012-06-07 US disclosed
US-8138180-B2 Exo-selective synthesis of himbacine analogs SCHERING CORPORATION (US) 2012-03-20 US disclosed
US-20100267947-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS SCHERING CORPORATION (US) 2010-10-21 US disclosed
US-7772276-B2 Exo-selective synthesis of himbacine analogs SCHERING CORPORATION (US) 2010-08-10 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 (3 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-20100267947-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS CHKB, BDKRB1, EDNRB F2R 70/4885ABCB11 3512/4885ADORA3 146/4885
US-20120302745-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS CHKB, BDKRB1, EDNRB F2R 70/4885ABCB11 3512/4885ADORA3 146/4885
US-20120142914-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS CHKB, BDKRB1, EDNRB F2R 70/4885ABCB11 3512/4885ADORA3 146/4885

“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.