SCHEMBL18624032

SCHEMBL18624032

CC(F)(F)c1ccc(C(=O)C2CCNCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
CYP2D6 P10635 1/20 0.62
HSD11B1 P28845 2/20 0.44
MGLL Q99685 2/20 0.43
KDM2B Q8NHM5 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR2C P28335 1/20 0.39
LMNA P02545 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KHK P50053 1/20 0.39

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
SCHEMBL1583171 0.87 MEN1 (0.66) MEN1KMT2ACYP2D6HPGDNPC1
SCHEMBL4240412 0.87 MEN1 (0.61) MEN1KMT2ACYP2D6HSD11B1MGLL
Hydrochloric Acid SCHEMBL21384816 0.86 MEN1 (0.64) MEN1KMT2ACYP2D6HSD11B1MGLL
SCHEMBL16432191 0.86 MEN1 (0.64) MEN1KMT2ACYP2D6HSD11B1MGLL
Hydrochloric Acid SCHEMBL11616870 0.86 MEN1 (0.69) MEN1KMT2ACYP2D6HPGDNPC1
Hydrochloric Acid SCHEMBL16432405 0.84 MEN1 (0.67) MEN1KMT2ACYP2D6HSD11B1MGLL
SCHEMBL19220947 0.82 MEN1 (0.59) MEN1KMT2ACYP2D6HPGDNPC1
Tert-Butyl Formate SCHEMBL27968807 0.81 MEN1 (0.51) MEN1KMT2ACYP2D6HSD11B1MGLL
SCHEMBL1582773 0.78 KMT2A (0.96) MEN1KMT2ACYP2D6HSD11B1MGLL
SCHEMBL228259 0.78 MEN1 (0.67) MEN1KMT2ACYP2D6HSD11B1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809598-B2 Heterocyclyl-butanamide derivatives MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-9809598-B2 Heterocyclyl-butanamide derivatives MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 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-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES TNKS, TANK, TBKBP1 MEN1 4039/4885KMT2A 1418/4885CYP2D6 1952/4885

“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.