SCHEMBL20116409

SCHEMBL20116409

CC(C)n1ncc2ccc(-c3noc([C@H]4CC[C@H](N)CC4)n3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
NR1H4 Q96RI1 4/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
PIK3CD O00329 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTR4 Q13639 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PTGER3 P43115 1/20 0.41
AAK1 Q2M2I8 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.38

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
SCHEMBL20116434 1.00 GRM5 (0.43) GRM5NR1H4CA12CA1CA2
SCHEMBL20116507 0.89 NR1H4 (0.45) GRM5NR1H4CA12CA1CA2
SCHEMBL20116846 0.89 NR1H4 (0.45) GRM5NR1H4CA12CA1CA2
SCHEMBL20117198 0.89 NPC1 (0.54) GRM5NR1H4PIK3CDNPC1RAB9A
SCHEMBL22357930 0.87 NR1H4 (0.58) GRM5NR1H4PIK3CDNPC1RAB9A
SCHEMBL22358136 0.85 NR1H4 (0.44) GRM5NR1H4PIK3CDNPC1RAB9A
SCHEMBL20116749 0.84 NR1H4 (0.45) GRM5NR1H4NPC1RAB9AHTR4
SCHEMBL22357906 0.83 PTGER3 (0.44) GRM5NR1H4PTGER3DPP4DPP8
SCHEMBL20117200 0.83 PTGER3 (0.44) GRM5NR1H4PTGER3DPP4DPP8
SCHEMBL22357924 0.83 NR1H4 (0.51) GRM5NR1H4PIK3CDNPC1RAB9A

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 68/4885NR1H4 1341/4885CA12 1230/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 GRM5 68/4885NR1H4 1341/4885CA12 1230/4885

“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.