SCHEMBL18858019

SCHEMBL18858019

CC(C)C1=CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
CNR1 P21554 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
JAK1 P23458 1/20 0.35
NAMPT P43490 3/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
FKBP1A P62942 1/20 0.33
QDPR P09417 1/20 0.33
RIPK1 Q13546 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
TRPV1 Q8NER1 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL26139011 0.85 HDAC6 (0.39) KCNH2HRH3NAMPTQDPRRIPK1
SCHEMBL104852 0.80 QDPR (0.45) KCNH2HRH3NAMPTQDPR
SCHEMBL12030751 0.78 NAMPT (0.43) KCNH2HRH3NAMPTRIPK1
SCHEMBL18867575 0.78 ESR1 (0.42) ESR1ESR2CNR1KCNH2HRH3
SCHEMBL19998528 0.78 JAK1 (0.48) JAK1
SCHEMBL26027576 0.78 JAK2 (0.40) JAK1TLR9TLR8TLR7RIPK1
SCHEMBL25633280 0.77 MEN1 (0.36) CNR1KCNH2HRH3JAK1NAMPT
SCHEMBL17660297 0.77 MAPT (0.39) KCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL22109470 0.76 KCNH2 (0.33) KCNH2HRH3SMN1; SMN2
SCHEMBL12205461 0.75 HRH3 (0.46) KCNH2HRH3ALDH1A1SMN1; SMN2

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-20170137415-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2017-05-18 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-20170137415-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS SCN7A, SCN1A, SCN5A ESR1 4221/4885ESR2 4025/4885CNR1 854/4885

“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.