SCHEMBL20116964

SCHEMBL20116964

COC(=O)N1CCC(c2nc(-c3cccc(C4CCOC4)c3)no2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.52
SMO Q99835 2/20 0.51
TUBB4A P04350 3/20 0.49
TUBB P07437 3/20 0.49
TUBA3C P0DPH7 3/20 0.49
TUBA1B P68363 3/20 0.49
TUBA4A P68366 3/20 0.49
TUBB4B P68371 3/20 0.49
TUBB3 Q13509 3/20 0.49
TUBB2A Q13885 3/20 0.49
TUBB8 Q3ZCM7 3/20 0.49
TUBA3E Q6PEY2 3/20 0.49
TUBA1A Q71U36 3/20 0.49
TUBA1C Q9BQE3 3/20 0.49
TUBB6 Q9BUF5 3/20 0.49
TUBB2B Q9BVA1 3/20 0.49
TUBB1 Q9H4B7 3/20 0.49
NAMPT P43490 1/20 0.48
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.45

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 0.90 GRM5 (0.50) GRM5SMOTUBB4ATUBBTUBA3C
SCHEMBL20117080 0.89 GRM5 (0.49) GRM5SMOTUBB4ATUBBTUBA3C
SCHEMBL20116165 0.86 MAPT (0.47) GRM5HTTNPC1SMN1; SMN2
SCHEMBL20116967 0.85 GRM5 (0.49) GRM5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20116531 0.85 GRM5 (0.50) GRM5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22358304 0.84 SMO (0.48) GRM5SMOTUBB4ATUBBTUBA3C
SCHEMBL22358079 0.79 SMO (0.50) GRM5SMOTUBB4ATUBBTUBA3C
SCHEMBL20116427 0.79 SMO (0.50) GRM5SMOTUBB4ATUBBTUBA3C
SCHEMBL20116377 0.79 SMO (0.50) GRM5SMOTUBB4ATUBBTUBA3C
SCHEMBL20117138 0.77 MAPT (0.44) GRM5HTTNPC1

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 68/4885SMO 1858/4885TUBB4A 627/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 GRM5 68/4885SMO 1858/4885TUBB4A 627/4885

“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.