SCHEMBL19658403

SCHEMBL19658403

CCc1cccc(N2CCC(N(C)C(C)=O)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.45
FFAR1 O14842 1/20 0.43
PIK3CD O00329 1/20 0.42
SETD2 Q9BYW2 1/20 0.41
MCHR1 Q99705 1/20 0.41
OPRM1 P35372 1/20 0.41
MGLL Q99685 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALOX5 P09917 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM4 P08173 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
SCHEMBL19652216 0.86 FFAR1 (0.43) NPY5RFFAR1MGLLTMEM97SIGMAR1
SCHEMBL19658406 0.84 MCHR1 (0.46) NPY5RMCHR1L3MBTL1
SCHEMBL19658391 0.83 NPY5R (0.60) NPY5RSETD2
SCHEMBL14321771 0.82 NPY5R (0.61) NPY5RPIK3CDSETD2MCHR1L3MBTL1
SCHEMBL19658738 0.81 NPY5R (0.56) NPY5RMCHR1MBTD1L3MBTL3L3MBTL1
SCHEMBL19658386 0.80 NOTUM (0.58) SIGMAR1L3MBTL1
SCHEMBL19658404 0.80 NOTUM (0.58) NPY5RPIK3CDSETD2MCHR1
SCHEMBL6501087 0.79 NOTUM (0.57) FFAR1MGLLL3MBTL1
SCHEMBL18617819 0.78 L3MBTL3 (0.47) FFAR1MGLLALOX5MBTD1TP53BP1
SCHEMBL22919216 0.77 SYK (0.46) NPY5RPIK3CDMCHR1

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
WO-2023168291-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-09-07 WO disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 NPY5R 500/4885FFAR1 1906/4885PIK3CD 14/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 NPY5R 1431/4885FFAR1 2401/4885PIK3CD 2950/4885

“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.