SCHEMBL20116145

SCHEMBL20116145

COc1ccc(-c2noc(C3CCNCC3)n2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 6/20 0.70
TLR8 Q9NR97 6/20 0.70
TLR7 Q9NYK1 6/20 0.70
NR1H4 Q96RI1 1/20 0.65
HTT P42858 2/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NTRK1 P04629 2/20 0.52
CSF1R P07333 2/20 0.52
NTRK2 Q16620 2/20 0.52
MAOB P27338 1/20 0.51
LMNA P02545 2/20 0.51
USP2 O75604 1/20 0.51
NPC1 O15118 3/20 0.49
MAPT P10636 2/20 0.49

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
SCHEMBL30506252 1.00 TLR9 (0.70) TLR9TLR8TLR7NR1H4HTT
Hydrochloric Acid SCHEMBL20661015 0.99 TLR9 (0.68) TLR9TLR8TLR7NR1H4HTT
SCHEMBL14282268 0.91 TLR9 (0.64) TLR9TLR8TLR7NR1H4HTT
SCHEMBL20116375 0.91 TLR9 (0.66) TLR9TLR8TLR7NR1H4MEN1
SCHEMBL20676517 0.90 NR1H4 (0.60) TLR9TLR8TLR7NR1H4HTT
Hydrochloric Acid SCHEMBL20660856 0.90 TLR9 (0.65) TLR9TLR8TLR7NR1H4MEN1
Hydrochloric Acid SCHEMBL30506268 0.90 TLR9 (0.65) TLR9TLR8TLR7NR1H4MEN1
SCHEMBL8241780 0.85 TLR9 (0.63) TLR9TLR8TLR7NR1H4HTT
SCHEMBL4425801 0.84 NR1H4 (0.64) TLR9TLR8TLR7NR1H4HTT
SCHEMBL20676691 0.84 HTT (0.57) TLR9TLR8TLR7HTTTSHR

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 14 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-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO 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
CN-110392833-A The method for treating nervous disorders 优曼尼蒂治疗公司 2019-10-29 CN disclosed
CN-110099898-A compound and use thereof 优曼尼蒂治疗公司 2019-08-06 CN 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 TLR9 4108/4885TLR8 4063/4885TLR7 2921/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TLR9 4108/4885TLR8 4063/4885TLR7 2921/4885

“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.