SCHEMBL17877210

SCHEMBL17877210

COC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.71
BRD4 O60885 2/20 0.71
MAPK1 P28482 1/20 0.59
NPC1 O15118 1/20 0.53
EP300 Q09472 3/20 0.52
P2RX7 Q99572 2/20 0.49
LMNA P02545 1/20 0.48
MAPK10 P53779 1/20 0.48
RBP4 P02753 1/20 0.46

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
SCHEMBL10095067 0.87 BRD4 (0.67) CREBBPBRD4MAPK1NPC1EP300
SCHEMBL17868242 0.87 BRD4 (0.66) CREBBPBRD4MAPK1NPC1EP300
SCHEMBL10818694 0.86 MAPK1 (0.77) CREBBPBRD4MAPK1EP300P2RX7
SCHEMBL17868294 0.85 BRD4 (0.71) CREBBPBRD4MAPK1NPC1EP300
SCHEMBL17868223 0.84 BRD4 (0.63) CREBBPBRD4MAPK1NPC1EP300
SCHEMBL17868157 0.84 BRD4 (0.65) CREBBPBRD4MAPK1P2RX7
SCHEMBL17877208 0.83 BRD4 (0.71) CREBBPBRD4MAPK1NPC1EP300
SCHEMBL10818765 0.82 BRD4 (0.70) CREBBPBRD4MAPK1NPC1EP300
SCHEMBL17868232 0.82 BRD4 (0.66) CREBBPBRD4MAPK1NPC1EP300
SCHEMBL17877275 0.81 CREBBP (0.79) CREBBPBRD4MAPK1NPC1EP300

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 1214/4885MAPK1 3724/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS CREBBP 134/4885BRD4 1214/4885MAPK1 3724/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS CREBBP 134/4885BRD4 1214/4885MAPK1 3724/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS CREBBP 134/4885BRD4 1214/4885MAPK1 3724/4885

“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.