SCHEMBL17877241

SCHEMBL17877241

COC(=O)c1ccc(OCC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.65
BRD4 O60885 2/20 0.65
NPC1 O15118 2/20 0.53
EP300 Q09472 2/20 0.50
MAPK1 P28482 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47
MET P08581 2/20 0.46
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL17877272 0.90 CREBBP (0.62) CREBBPBRD4NPC1EP300MAPK1
SCHEMBL17877239 0.89 BRD4 (0.71) CREBBPBRD4NPC1MAPK1TAAR1
SCHEMBL17868180 0.89 BRD4 (0.73) CREBBPBRD4NPC1MAPK1TAAR1
SCHEMBL17877221 0.89 BRD4 (0.64) CREBBPBRD4NPC1MAPK1TAAR1
SCHEMBL17877262 0.88 BRD4 (0.70) CREBBPBRD4NPC1MAPK1TAAR1
SCHEMBL17877230 0.86 BRD4 (0.67) CREBBPBRD4NPC1MAPK1MAPT
SCHEMBL17877235 0.86 BRD4 (0.67) CREBBPBRD4NPC1MAPK1MAPT
SCHEMBL17877271 0.86 BRD4 (0.66) CREBBPBRD4NPC1MAPK1TAAR1
SCHEMBL17877266 0.85 BRD4 (0.65) CREBBPBRD4NPC1EP300MAPK1
SCHEMBL17877265 0.85 BRD4 (0.64) CREBBPBRD4NPC1MAPK1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS INC (US) 2020-06-11 US disclosed
US-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2019-01-31 US disclosed
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-9550779-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-9550779-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US 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-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS CREBBP 134/4885BRD4 1214/4885NPC1 49/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS CREBBP 134/4885BRD4 1214/4885NPC1 49/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS CREBBP 134/4885BRD4 1214/4885NPC1 49/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS CREBBP 134/4885BRD4 1214/4885NPC1 49/4885

“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.