SCHEMBL20116469

SCHEMBL20116469

Cc1nn(C)c2ccc(-c3noc(C4CCNCC4)n3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.57
TLR9 Q9NR96 6/20 0.48
TLR8 Q9NR97 6/20 0.48
TLR7 Q9NYK1 6/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
PLAT P00750 4/20 0.43
NTRK1 P04629 1/20 0.42
CSF1R P07333 1/20 0.42
NTRK2 Q16620 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL30506333 0.91 NR1H4 (0.57) NR1H4TLR9TLR8TLR7NPC1
SCHEMBL20116487 0.91 NR1H4 (0.57) NR1H4TLR9TLR8TLR7NPC1
Hydrochloric Acid SCHEMBL30506231 0.90 NR1H4 (0.56) NR1H4TLR9TLR8TLR7NPC1
Hydrochloric Acid SCHEMBL29040319 0.90 NR1H4 (0.56) NR1H4TLR9TLR8TLR7NPC1
SCHEMBL22357914 0.85 NR1H4 (0.49) NR1H4TLR9TLR8TLR7NPC1
SCHEMBL22367064 0.83 LMNA (0.44) NR1H4NPC1RAB9ACASP3SENP7
SCHEMBL20117102 0.80 GRM5 (0.52) NPC1RAB9ALMNAHTT
SCHEMBL22358195 0.80 TLR9 (0.46) NR1H4TLR9TLR8TLR7NPC1
SCHEMBL22357901 0.78 NPC1 (0.44) NR1H4NPC1RAB9ACASP3SENP7
SCHEMBL22357918 0.78 NPC1 (0.44) NR1H4NPC1RAB9ACASP3SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
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
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
EP-3700934-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2020-09-02 EP 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-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-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 NR1H4 1341/4885TLR9 4108/4885TLR8 4063/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 NR1H4 1341/4885TLR9 4108/4885TLR8 4063/4885

“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.