SCHEMBL5011018

SCHEMBL5011018

CC1(C)OCC(C(=O)Cl)O1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HCRTR2 O43614 4/20 0.32
HCRTR1 O43613 2/20 0.32
CA1 P00915 1/20 0.31

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
SCHEMBL4014633 1.00 CA2 (0.33) CA2TMEM97SIGMAR1HCRTR2HCRTR1
SCHEMBL7078356 1.00 CA2 (0.33) CA2TMEM97SIGMAR1HCRTR2HCRTR1
SCHEMBL1826271 0.82 CA2 (0.35) CA2TMEM97SIGMAR1HCRTR2HCRTR1
SCHEMBL3020689 0.82 CA2 (0.35) CA2TMEM97SIGMAR1HCRTR2HCRTR1
SCHEMBL883211 0.82 CA2 (0.35) CA2TMEM97SIGMAR1HCRTR2HCRTR1
SCHEMBL1030223 0.80 HCRTR2 (0.39) CA2TMEM97SIGMAR1HCRTR2HCRTR1
SCHEMBL2038232 0.80 HCRTR2 (0.39) CA2TMEM97SIGMAR1HCRTR2HCRTR1
SCHEMBL1030224 0.80 HCRTR2 (0.39) CA2TMEM97SIGMAR1HCRTR2HCRTR1
SCHEMBL8875465 0.80 CA2 (0.34) CA2TMEM97SIGMAR1HCRTR2HCRTR1
SCHEMBL9162631 0.78 HCRTR2 (0.38) CA2TMEM97SIGMAR1HCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 US disclosed
US-9408919-B2 Biodegradable polymer—bioactive moiety conjugates POLYACTIVA PTY LTD. (AU) 2016-08-09 US disclosed
US-9408919-B2 Biodegradable polymer—bioactive moiety conjugates POLYACTIVA PTY LTD. (AU) 2016-08-09 US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO disclosed
US-20140120058-A1 POLYMER CONJUGATED PROSTAGLANDIN ANALOGUES POLYACTIVA PTY LTD 2014-05-01 US disclosed
US-20140120058-A1 POLYMER CONJUGATED PROSTAGLANDIN ANALOGUES POLYACTIVA PTY LTD 2014-05-01 US disclosed
US-20140046018-A1 BIODEGRADABLE POLYMER - BIOACTIVE MOIETY CONJUGATES POLYACTIVA PTY LTD. (AU) 2014-02-13 US disclosed
US-20140046018-A1 BIODEGRADABLE POLYMER - BIOACTIVE MOIETY CONJUGATES POLYACTIVA PTY LTD. (AU) 2014-02-13 US disclosed
WO-2000037115-A1 WATER-SOLUBLE CONTRAST MEDIA FOR X-RAY IMAGING NYCOMED IMAGING AS (NO) 2000-06-29 WO disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed
EP-0782564-B1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-09-01 EP disclosed
US-5882628-A Contrast media NYCOMED IMAGING AS (NO) 1999-03-16 US disclosed
CN-1166826-A Iodo-substituted X-ray contrast agents NYCOMED IMAGING AS (NO) 1997-12-03 CN disclosed
EP-0782564-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
US-5641428-A SHORT SWITCHING TIMES HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-24 US disclosed
WO-1996009282-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING A/S (NO) 1996-03-28 WO disclosed
US-4954642-A INOTROPIC, HYPOTENSIVE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1990-09-04 US disclosed
EP-0222413-A2 Novel forskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1987-05-20 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 (5 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 CA2 2250/4885TMEM97 3135/4885SIGMAR1 2184/4885
US-20140046018-A1 BIODEGRADABLE POLYMER - BIOACTIVE MOIETY CONJUGATES BMP2, MKI67, FGF2 CA2 3442/4885TMEM97 4411/4885SIGMAR1 3025/4885
US-20140120058-A1 POLYMER CONJUGATED PROSTAGLANDIN ANALOGUES PTGIS, PTGS2, PTGES CA2 1280/4885TMEM97 3091/4885SIGMAR1 3778/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A CA2 2193/4885TMEM97 3334/4885SIGMAR1 2301/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 CA2 2250/4885TMEM97 3135/4885SIGMAR1 2184/4885

“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.