SCHEMBL17868276

SCHEMBL17868276

O=C(C1CC1c1ccccc1)N1CCc2n[nH]c(-c3ccccc3)c2C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.47
SIGMAR1 Q99720 3/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.42
AR P10275 2/20 0.42

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
SCHEMBL18934318 0.81 BRD4 (0.62) HRH3SIGMAR1
SCHEMBL17877328 0.81 BRD4 (0.62) HRH3SIGMAR1
SCHEMBL18400249 0.81 BRD4 (0.62) HRH3SIGMAR1
SCHEMBL17877192 0.81 BRD4 (0.62) HRH3SIGMAR1
SCHEMBL17868274 0.73 DRD2 (0.47)
SCHEMBL18926528 0.72 DHFR (0.51) SIGMAR1PTGDR2
SCHEMBL17122449 0.72 PREP (0.64) HRH3SIGMAR1AR
SCHEMBL17122450 0.72 PREP (0.64) HRH3SIGMAR1AR
SCHEMBL18926529 0.71 PTGDR2 (0.42) PTGDR2
SCHEMBL23973017 0.71 MTHFD2 (0.44) HRH3SIGMAR1PTGDR2

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 7 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-10077264-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-09-18 US disclosed
EP-3240787-A2 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS Novira Therapeutics Inc. (US) 2017-11-08 EP 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-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 (5 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 HRH3 2188/4885SIGMAR1 4139/4885PTGDR2 1720/4885
US-10077264-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS HRH3 2188/4885SIGMAR1 4139/4885PTGDR2 1720/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS HRH3 2188/4885SIGMAR1 4139/4885PTGDR2 1720/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS HRH3 2188/4885SIGMAR1 4139/4885PTGDR2 1720/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS HRH3 2188/4885SIGMAR1 4139/4885PTGDR2 1720/4885

“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.