SCHEMBL8908940

SCHEMBL8908940

CCOCCOC1CCC(N)CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.31
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL8908943 1.00 EPHX2 (0.39) EPHX2ALDH1A1TSHRLIPG
SCHEMBL20337353 0.88 EPHX2 (0.35) EPHX2
SCHEMBL27888454 0.86 EPHX2 (0.46) EPHX2ALDH1A1TSHRLIPG
SCHEMBL20337456 0.83 OPRM1 (0.33) EPHX2LIPG
SCHEMBL18551602 0.83 EPHX2 (0.36) EPHX2ALDH1A1TSHR
SCHEMBL27536365 0.82 EPHX2 (0.41) EPHX2ALDH1A1TSHRLIPG
SCHEMBL600824 0.82 GNAI3 (0.31)
SCHEMBL600825 0.82 GNAI3 (0.31)
SCHEMBL17592150 0.82 GNAI3 (0.31)
SCHEMBL23329136 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-06-07 US disclosed
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-06-17 US disclosed
US-10751341-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2020-08-25 US disclosed
EP-3215509-B1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC (US) 2020-02-26 EP disclosed
US-20200030331-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2020-01-30 US disclosed
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2018-07-05 US disclosed
US-5661148-A ANTIHYPOXIC AGENT FOR RESPIRATORY SYSTEM DISORDER TEIJIN LIMITED (JP) 1997-08-26 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 (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-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP EPHX2 2976/4885ALDH1A1 1739/4885TSHR 4155/4885
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP EPHX2 2976/4885ALDH1A1 1739/4885TSHR 4155/4885
US-10751341-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP EPHX2 2976/4885ALDH1A1 1739/4885TSHR 4155/4885
US-20200030331-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP EPHX2 2976/4885ALDH1A1 1739/4885TSHR 4155/4885
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP EPHX2 2976/4885ALDH1A1 1739/4885TSHR 4155/4885

“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.