SCHEMBL16415664

SCHEMBL16415664

CC1(C)CCC(C)(C)N1C(=O)O.[LiH]

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.39
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4852108 0.97 FFAR3 (0.41) FFAR3TSHRNFKB1CYP2C19
SCHEMBL9067554 0.86 TSHR (0.48) FFAR3TSHRNFKB1CYP2C19
Hydrochloric Acid SCHEMBL11196712 0.84 TSHR (0.47) FFAR3TSHRNFKB1CYP2C19
Ethylene SCHEMBL11463450 0.82 TSHR (0.45) FFAR3TSHRNFKB1CYP2C19
Propene SCHEMBL11410149 0.77 TSHR (0.41) FFAR3TSHRNFKB1CYP2C19
SCHEMBL14369404 0.74 ESR1 (0.41) FFAR3TSHRNFKB1CYP2C19
SCHEMBL22341334 0.72 GAA (0.39)
Lithium Ion SCHEMBL16415663 0.70 FFAR3 (0.32) FFAR3TSHRNFKB1CYP2C19
SCHEMBL30145016 0.69 TSHR (0.38) FFAR3TSHRNFKB1CYP2C19
SCHEMBL6045009 0.69 CYP3A4 (0.42) TSHRCYP2C19

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-9663546-B2 Metal amides of cyclic amines PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-30 US disclosed
US-20160152649-A1 METAL AMIDES OF CYCLIC AMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-02 US disclosed
WO-2015013630-A1 METAL AMIDES OF CYCLIC AMINES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-01-29 WO 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-20160152649-A1 METAL AMIDES OF CYCLIC AMINES SRM, SMS, NBAS FFAR3 4462/4885TSHR 2429/4885NFKB1 4031/4885

“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.