SCHEMBL20116967

SCHEMBL20116967

CC(C)(C)OC(=O)N1CCC(c2nc(-c3cccc(C4CCCOC4)c3)no2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44

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
SCHEMBL20116962 0.95 GRM5 (0.50) GRM5SMN1; SMN2GPR119TUBB4ATUBB
SCHEMBL20116964 0.85 GRM5 (0.52) GRM5NPC1RAB9ASMN1; SMN2TUBB4A
SCHEMBL20117080 0.83 GRM5 (0.49) GRM5SMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL23411281 0.83 GRM5 (0.60) GRM5CASP3SENP7SENP6
SCHEMBL29891703 0.83 GRM5 (0.60) GRM5CASP3SENP7SENP6
SCHEMBL20117138 0.82 MAPT (0.44) GRM5NPC1GPR119
SCHEMBL20116424 0.82 GRM5 (0.49) GRM5GPR119
SCHEMBL1653518 0.81 TUBB4A (0.60) SMN1; SMN2GPR119TUBB4ATUBBTUBA3C
SCHEMBL20116734 0.81 L3MBTL1 (0.54) GRM5RAB9ASMN1; SMN2
SCHEMBL20116092 0.81 GRM5 (0.49) GRM5NPC1RAB9ASMN1; SMN2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 GRM5 68/4885NPC1 72/4885RAB9A 2129/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 GRM5 68/4885NPC1 72/4885RAB9A 2129/4885

“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.