SCHEMBL499973

SCHEMBL499973

CCCCCN1CCC[C@H]1[C]=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.47
S1PR3 Q99500 3/20 0.47
S1PR5 Q9H228 3/20 0.47
S1PR4 O95977 1/20 0.47
BCHE P06276 5/20 0.39
OPRD1 P41143 1/20 0.38
DPP4 P27487 3/20 0.38
GBA1 P04062 1/20 0.37
NR1I2 O75469 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36

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
SCHEMBL499972 1.00 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9660886 0.98 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9660985 0.98 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9658849 0.98 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9660792 0.98 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9660557 0.98 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9660224 0.98 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9658821 0.98 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9661749 0.98 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL499975 0.95 S1PR1 (0.43) S1PR1S1PR3S1PR5S1PR4BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016122250-A1 ANTI-EPRS MONOCLONAL ANTIBODY AND USE THEREOF 재단법인 의약바이오컨버젼스연구단 2016-08-04 WO disclosed
US-8436183-B2 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20120130076-A1 Synthetic Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-8106191-B2 Compounds based on N- acyl-pipecolyl and N-acyl-prolyl ligand moieties for multimerizing chimeric proteins containing immunophilin-derived domains ARIAD PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20040006233-A1 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. 2004-01-08 US disclosed
US-20030036654-A1 Synthetic multimerizing agents HOLT DENNIS A (US) 2003-02-20 US disclosed
US-6150527-A Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
EP-0888303-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1999-01-07 EP disclosed
WO-1997031898-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 WO disclosed
EP-0517262-A1 Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-09 EP 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-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 S1PR1 2969/4885S1PR3 3462/4885S1PR5 2848/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 S1PR1 2837/4885S1PR3 3262/4885S1PR5 2745/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 S1PR1 2826/4885S1PR3 3157/4885S1PR5 2700/4885

“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.