SCHEMBL439856

SCHEMBL439856

CCOC(=O)[C@H]1CC1c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
FPR2 P25090 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CA12 O43570 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
S1PR4 O95977 1/20 0.42

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
SCHEMBL6256 1.00 TSHR (0.48) TSHRHTTMAPTPKMFPR2
SCHEMBL6257 1.00 TSHR (0.48) TSHRHTTMAPTPKMFPR2
SCHEMBL1000358 1.00 TSHR (0.48) TSHRHTTMAPTPKMFPR2
SCHEMBL7182 1.00 TSHR (0.48) TSHRHTTMAPTPKMFPR2
SCHEMBL6082774 0.87 ALDH1A1 (0.55) HTTMAPTPKMALDH1A1CYP1A2
SCHEMBL15977387 0.87 ALDH1A1 (0.55) HTTMAPTPKMALDH1A1CYP1A2
SCHEMBL15235893 0.87 ALDH1A1 (0.55) HTTMAPTPKMALDH1A1CYP1A2
SCHEMBL14870924 0.87 MAPT (0.50) TSHRHTTMAPTPKMMAPK1
SCHEMBL15428491 0.86 MAPT (0.47) TSHRMAPTPKMALDH1A1CA1
SCHEMBL433974 0.86 MAPT (0.47) TSHRMAPTPKMALDH1A1CA1

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-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-08-06 US disclosed
US-9029381-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-05-12 US disclosed
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
US-8063215-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2011-11-22 US disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 ASTRAZENECA AB (SE) 2009-03-19 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-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 TSHR 291/4885HTT 1689/4885MAPT 1670/4885
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 HRH4, HRH2, HRH3 TSHR 277/4885HTT 1570/4885MAPT 1618/4885
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 TSHR 324/4885HTT 1189/4885MAPT 1361/4885

“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.