SCHEMBL16448461

SCHEMBL16448461

CC(C)C1CN(C(c2ccccc2)c2cccc(OC(F)(F)F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A9 P48067 1/20 0.40
FFAR1 O14842 1/20 0.39
SLC6A4 P31645 1/20 0.39
TACR1 P25103 2/20 0.39
GPR139 Q6DWJ6 1/20 0.39
NOTUM Q6P988 1/20 0.39
SLC6A2 P23975 3/20 0.38
CASR P41180 2/20 0.37

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
SCHEMBL16449025 0.87 ACHE (0.48) ACHEMEN1KMT2ASLC6A9SLC6A4
SCHEMBL16448458 0.79 OPRM1 (0.50) MEN1KMT2ASLC6A9SLC6A4SLC6A2
SCHEMBL16448459 0.76 OPRM1 (0.51) SLC6A4SLC6A2
SCHEMBL4152522 0.74 SLC6A9 (0.74) ACHEMEN1KMT2ASLC6A9NOTUM
SCHEMBL4152516 0.74 SLC6A9 (0.74) ACHEMEN1KMT2ASLC6A9NOTUM
SCHEMBL4156838 0.74 SLC6A9 (0.74) ACHEMEN1KMT2ASLC6A9NOTUM
SCHEMBL4156833 0.74 SLC6A9 (0.74) ACHEMEN1KMT2ASLC6A9NOTUM
SCHEMBL4152529 0.74 SLC6A9 (0.74) ACHEMEN1KMT2ASLC6A9NOTUM
SCHEMBL17071844 0.73 GPR139 (0.47) FFAR1SLC6A4GPR139SLC6A2
SCHEMBL18682089 0.72 GPR139 (0.46) FFAR1SLC6A4GPR139SLC6A2

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-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20170002017-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 US disclosed
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 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 (2 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-20170002017-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SNRPD2 ACHE 532/4885MEN1 2017/4885KMT2A 1449/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C ACHE 698/4885MEN1 1307/4885KMT2A 2619/4885

“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.