SCHEMBL17877302

SCHEMBL17877302

O=C(Nc1cc(Cl)ccc1Cl)N1CCc2[nH]nc(-c3ccccc3)c2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.57
BRD4 O60885 1/20 0.56
CREBBP Q92793 1/20 0.56
MAPT P10636 4/20 0.49
P2RX7 Q99572 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PIP5K1C O60331 1/20 0.45
MET P08581 1/20 0.44
CYP1A2 P05177 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
SCHEMBL17877281 0.91 CREBBP (0.55) TRPV1BRD4CREBBPMAPTP2RX7
SCHEMBL17877382 0.90 BRD4 (0.60) BRD4CREBBPMAPTP2RX7TAS1R3
SCHEMBL17877278 0.89 BRD4 (0.52) TRPV1BRD4CREBBPMAPTP2RX7
SCHEMBL17877381 0.86 BRD4 (0.60) TRPV1BRD4CREBBPMAPTP2RX7
SCHEMBL17877212 0.85 NPC1 (0.57) TRPV1BRD4CREBBPMAPTP2RX7
SCHEMBL17877277 0.85 P2RX7 (0.59) BRD4CREBBPP2RX7TAS1R3TAS1R1
SCHEMBL17877245 0.83 TAS1R3 (0.59) BRD4CREBBPP2RX7TAS1R3TAS1R1
SCHEMBL17877307 0.83 CREBBP (0.54) BRD4CREBBPP2RX7MAPK1
SCHEMBL17877248 0.83 BRD4 (0.54) TRPV1BRD4CREBBPMAPTP2RX7
SCHEMBL17877284 0.83 BRD4 (0.54) TRPV1BRD4CREBBPMAPTP2RX7

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 TRPV1 4712/4885BRD4 1214/4885CREBBP 134/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS TRPV1 4712/4885BRD4 1214/4885CREBBP 134/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS TRPV1 4712/4885BRD4 1214/4885CREBBP 134/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS TRPV1 4712/4885BRD4 1214/4885CREBBP 134/4885

“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.