SCHEMBL20073142

SCHEMBL20073142

CNC(=O)CN(C)[C@H]1CCCC[C@@H]1NC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
POLB P06746 4/20 0.34
MAOA P21397 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TACR1 P25103 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
ATM Q13315 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL20063371 0.84 TACR1 (0.32) MAOATACR1L3MBTL1TDP1
SCHEMBL20073143 0.83 DDB1 (0.38) TACR1
SCHEMBL25586472 0.76 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL20053393 0.76
SCHEMBL23423651 0.74 SCN9A (0.32)
SCHEMBL26620827 0.74 SCN9A (0.32)
SCHEMBL20096051 0.74 ALDH1A1 (0.31) ALDH1A1POLBMAOASMN1; SMN2MEN1
SCHEMBL20095831 0.74 ALDH1A1 (0.31) ALDH1A1POLBMAOASMN1; SMN2MEN1
SCHEMBL11456997 0.74 SCN9A (0.35) MAPT
SCHEMBL11467859 0.72 LATS1 (0.31) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 ALDH1A1 2867/4885POLB 4679/4885MAOA 3172/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 ALDH1A1 3058/4885POLB 4677/4885MAOA 3140/4885

“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.