SCHEMBL146852

SCHEMBL146852

CCOC(=O)c1cc(CN2CCOCC2)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
STAT3 P40763 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
PRMT1 Q99873 1/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL2774659 0.88 ALDH1A1 (0.59) TSHRSMN1; SMN2LMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL2769406 0.86 ALDH1A1 (0.58) TSHRSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18375622 0.85 TSHR (0.60) TSHRSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL13634159 0.83 KDM4E (0.54) TSHRSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL13634176 0.83 NOS1 (0.50) SMN1; SMN2LMNAMAPTMAPK1RAB9A
SCHEMBL145235 0.82 PARP1 (0.49) SMN1; SMN2LMNAMAPTALDH1A1HTT
SCHEMBL147701 0.81 MAPT (0.53) TSHRSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL145531 0.81 ALDH1A1 (0.54) SMN1; SMN2LMNAMAPTRAB9AALDH1A1
Hydrochloric Acid SCHEMBL347360 0.81 PARP1 (0.48) SMN1; SMN2LMNAMAPTALDH1A1HTT
SCHEMBL17827898 0.80 LGMN (0.60) SMN1; SMN2LMNAMAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3431086-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2020-06-17 EP disclosed
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2020-04-30 US disclosed
EP-3431086-A1 NOVEL ANTI-INFLAMMATORY AGENTS Resverlogix Corp. (CA) 2019-01-23 EP disclosed
EP-2421533-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2018-10-17 EP disclosed
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2017-11-23 US disclosed
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2017-11-16 US disclosed
US-9757368-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2017-09-12 US disclosed
US-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-03-08 US disclosed
EP-2421533-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-02-29 EP disclosed
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 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 (4 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-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TSHR 4123/4885SMN1; SMN2 4428/4885LMNA 3416/4885
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TSHR 4123/4885SMN1; SMN2 4428/4885LMNA 3416/4885
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TSHR 4123/4885SMN1; SMN2 4428/4885LMNA 3416/4885
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TSHR 4123/4885SMN1; SMN2 4428/4885LMNA 3416/4885

“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.