SCHEMBL20116375

SCHEMBL20116375

CCOc1ccc(-c2noc(C3CCNCC3)n2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.66
TLR8 Q9NR97 4/20 0.66
TLR7 Q9NYK1 4/20 0.66
SMN1; SMN2 Q16637 1/20 0.59
NR1H4 Q96RI1 1/20 0.58
MAPK1 P28482 1/20 0.57
NTRK1 P04629 2/20 0.54
CSF1R P07333 2/20 0.54
NTRK2 Q16620 2/20 0.54
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
S1PR1 P21453 6/20 0.49
S1PR3 Q99500 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
Hydrochloric Acid SCHEMBL30506268 0.99 TLR9 (0.65) TLR9TLR8TLR7SMN1; SMN2NR1H4
Hydrochloric Acid SCHEMBL20660856 0.99 TLR9 (0.65) TLR9TLR8TLR7SMN1; SMN2NR1H4
SCHEMBL30506252 0.91 TLR9 (0.70) TLR9TLR8TLR7SMN1; SMN2NR1H4
SCHEMBL20116145 0.91 TLR9 (0.70) TLR9TLR8TLR7SMN1; SMN2NR1H4
Hydrochloric Acid SCHEMBL20661015 0.90 TLR9 (0.68) TLR9TLR8TLR7SMN1; SMN2NR1H4
SCHEMBL26998344 0.89 NR1H4 (0.58) TLR9TLR8TLR7SMN1; SMN2NR1H4
SCHEMBL20116188 0.86 SMN1; SMN2 (0.58) TLR9TLR8TLR7SMN1; SMN2MAPK1
SCHEMBL20676517 0.84 NR1H4 (0.60) TLR9TLR8TLR7NR1H4NTRK1
SCHEMBL14282268 0.83 TLR9 (0.64) TLR9TLR8TLR7NR1H4NTRK1
SCHEMBL22358224 0.82 NTRK1 (0.56) TLR9TLR8TLR7NR1H4MAPK1

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 12 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
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 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.