SCHEMBL23721774

SCHEMBL23721774

CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)cc2OCCF)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.45
▸ STS P08842 1/20 0.45
▸ P2RY14 Q15391 1/20 0.45
▸ JAK2 O60674 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ PTK2 Q05397 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ GPR119 Q8TDV5 5/20 0.43
▸ POLB P06746 1/20 0.42
▸ ALOX5AP P20292 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL17305170 0.88 GPR119 (0.43) TGFBR1STSP2RY14JAK2JAK3
SCHEMBL18703937 0.88 STS (0.43) TGFBR1STSP2RY14JAK2JAK3
SCHEMBL23705837 0.86 JAK2 (0.53) TGFBR1STSP2RY14JAK2JAK3
SCHEMBL17305189 0.86 STS (0.46) TGFBR1STSP2RY14JAK2JAK3
SCHEMBL26118196 0.82 TRPV1 (0.53) TGFBR1STSP2RY14JAK2JAK3
SCHEMBL17305275 0.82 ALDH1A1 (0.42) TGFBR1P2RY14JAK2JAK3PTK2
SCHEMBL17305243 0.82 GPR119 (0.43) TGFBR1STSP2RY14JAK2JAK3
SCHEMBL19078366 0.82 GPR119 (0.44) TGFBR1STSP2RY14JAK2JAK3
SCHEMBL17305159 0.82 STS (0.50) TGFBR1STSP2RY14JAK2JAK3
SCHEMBL17305332 0.80 MAPT (0.49) TGFBR1STSP2RY14JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 — — 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-20210246140-A1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM1, GRM2, GRIN1 TGFBR1 528/4885STS 4002/4885P2RY14 704/4885

“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.

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