SCHEMBL2388799

SCHEMBL2388799

COC(C(=O)O)c1ccc(CN(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PKM P14618 1/20 0.41
UTS2R Q9UKP6 8/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BMP1 P13497 1/20 0.39
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.38
ALB P02768 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX5 P09917 1/20 0.38
RARB P10826 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRB3 P13945 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL2387281 0.83 FAAH (0.51) HRH3ALDH1A1TSHRTAAR1PKM
SCHEMBL5041999 0.77 ALDH1A1 (0.53) ALDH1A1TSHRHDAC3HDAC6
SCHEMBL5040593 0.74 SRC (0.46) ALDH1A1TSHRTDP1LMNAESR1
SCHEMBL28194345 0.74 CYP2C9 (0.46) ALDH1A1CYP2C9
SCHEMBL29069338 0.74 KEAP1 (0.41) ALDH1A1TSHRPKMLMNAPTGS1
SCHEMBL24327745 0.74 KEAP1 (0.55) ALDH1A1PKMTDP1LMNAALOX5
SCHEMBL104518 0.74 ALDH1A1 (0.54) ALDH1A1PKMLMNA
SCHEMBL155984 0.74 ALDH1A1 (0.54) ALDH1A1PKMLMNA
SCHEMBL103235 0.74 ALDH1A1 (0.54) ALDH1A1PKMLMNA
SCHEMBL24327729 0.73 KDM4E (0.46) ALDH1A1HDAC3HDAC6LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
CN-104710385-B PDE10 inhibitor and compositions related and method 奥默罗斯公司 2018-11-09 CN disclosed
US-10106516-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-10-23 US disclosed
CN-107445919-A PDE10 inhibitor and compositions related and method 奥默罗斯公司 2017-12-08 CN disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
EP-2544679-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2013-01-16 EP disclosed
CN-102869355-A Pde10 inhibitors and related compositions and methods OMEROS CORP 2013-01-09 CN disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
WO-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO disclosed
WO-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 US disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 US disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 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-10106516-B2 PDE10 inhibitors and related compositions and methods PDE10A, PDE9A, PDE7A HRH3 2767/4885ALDH1A1 2053/4885TSHR 2134/4885
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A HRH3 2767/4885ALDH1A1 2053/4885TSHR 2134/4885
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A HRH3 2767/4885ALDH1A1 2053/4885TSHR 2134/4885

“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.