SCHEMBL8367122

SCHEMBL8367122

CCN[C@H](CO)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
TRPA1 O75762 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL8438027 1.00 SIGMAR1 (0.58) SIGMAR1CYP3A4MAPK1TRPA1KDM4E
SCHEMBL9393358 1.00 SIGMAR1 (0.58) SIGMAR1CYP3A4MAPK1TRPA1KDM4E
SCHEMBL27173944 0.88 SIGMAR1 (0.67) SIGMAR1SLC6A4
SCHEMBL13359079 0.85 SIGMAR1 (0.61) SIGMAR1CYP3A4MAPK1TRPA1KDM4E
SCHEMBL13359251 0.85 SIGMAR1 (0.61) SIGMAR1CYP3A4MAPK1TRPA1KDM4E
SCHEMBL22558398 0.84 SLC6A4 (0.62) SIGMAR1SLC6A4
SCHEMBL23023068 0.82 SIGMAR1 (0.55) SIGMAR1CYP3A4MAPK1TRPA1KDM4E
SCHEMBL7041284 0.82 SIGMAR1 (0.55) SIGMAR1CYP3A4MAPK1TRPA1KDM4E
SCHEMBL1823141 0.82 SIGMAR1 (0.55) SIGMAR1CYP3A4MAPK1TRPA1KDM4E
SCHEMBL13933035 0.81 SLC6A4 (0.50) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889712-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 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 (4 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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A SIGMAR1 1508/4885CYP3A4 1391/4885MAPK1 3078/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 SIGMAR1 1291/4885CYP3A4 1480/4885MAPK1 3484/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 SIGMAR1 479/4885CYP3A4 2006/4885MAPK1 2298/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 SIGMAR1 3998/4885CYP3A4 1107/4885MAPK1 2104/4885

“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.