SCHEMBL11055827

SCHEMBL11055827

CCCCC(CC)NC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
SHBG P04278 1/20 0.39
KDM4E B2RXH2 1/20 0.38
EPHX1 P07099 9/20 0.38
CYP1A2 P05177 1/20 0.38
EPHX2 P34913 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11058665 0.94 EPHX1 (0.40) SIGMAR1SHBGKDM4EEPHX1CYP1A2
SCHEMBL28785546 0.93 SIGMAR1 (0.42) SIGMAR1SHBGKDM4EEPHX1EPHX2
SCHEMBL24065663 0.91 SIGMAR1 (0.40) SIGMAR1KDM4EEPHX1EPHX2MEN1
SCHEMBL27818251 0.89 SIGMAR1 (0.39) SIGMAR1EPHX1CYP1A2EPHX2MEN1
SCHEMBL9885785 0.88 SHBG (0.41) SIGMAR1SHBGKDM4EEPHX1EPHX2
SCHEMBL23375445 0.88 SHBG (0.41) SIGMAR1SHBGKDM4EEPHX1EPHX2
SCHEMBL24896320 0.86 SIGMAR1 (0.37) SIGMAR1EPHX1CYP1A2EPHX2MEN1
SCHEMBL20093646 0.86 EPHX1 (0.42) SIGMAR1EPHX1CYP1A2EPHX2MEN1
SCHEMBL27552260 0.85 MEN1 (0.41) SIGMAR1EPHX1EPHX2MEN1KMT2A
SCHEMBL27572079 0.85 SIGMAR1 (0.38) SIGMAR1EPHX1CYP1A2EPHX2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298166-A1 PROCESSES FOR THE PREPARATION OF (3S,4R)-3-ETHYL-4-(3H-IMIDAZO[1,2-a]PYRROLO[2,3-e]-PYRAZIN-8-YL)-N-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-1-CARBOXAMIDE AND SOLID STATE FORMS THEREOF ABBVIE INC. 2022-09-22 US disclosed
CN-1898317-B Composition and method for controlling crystallization rate of polyolefin-based resin, resin composition, and resin molded article NEW JAPAN CHEM CO LTD 2010-11-24 CN disclosed
US-4459424-A SECONDARY AMINE, CARBON DISULFIDE, METAL CONTAINING CATALYST AKZONA INCORPORATED (US) 1984-07-10 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 (1 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-20220298166-A1 PROCESSES FOR THE PREPARATION OF (3S,4R)-3-ETHYL-4-(3H-IMIDAZO[1,2-a]PYRROLO[2,3-e]-PYRAZIN-8-YL)-N-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-1-CARBOXAMIDE AND SOLID STATE FORMS THEREOF TSLP, HRH4, IL4 SIGMAR1 3172/4885SHBG 4744/4885KDM4E 460/4885

“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.