SCHEMBL17877281

SCHEMBL17877281

O=C(Nc1cc(Cl)ccc1F)N1CCc2[nH]nc(-c3ccccc3)c2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.55
BRD4 O60885 1/20 0.55
MAPK1 P28482 2/20 0.51
CSNK1E P49674 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
EP300 Q09472 1/20 0.47
P2RX7 Q99572 3/20 0.46
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL17877302 0.91 TRPV1 (0.57) CREBBPBRD4MAPK1TRPV1P2RX7
SCHEMBL17877278 0.88 BRD4 (0.52) CREBBPBRD4MAPK1TRPV1P2RX7
SCHEMBL17877307 0.88 CREBBP (0.54) CREBBPBRD4MAPK1EP300P2RX7
SCHEMBL17877248 0.86 BRD4 (0.54) CREBBPBRD4MAPK1TRPV1P2RX7
SCHEMBL17877381 0.85 BRD4 (0.60) CREBBPBRD4MAPK1TRPV1P2RX7
SCHEMBL17877382 0.85 BRD4 (0.60) CREBBPBRD4MAPK1P2RX7MAPT
SCHEMBL17877212 0.84 NPC1 (0.57) CREBBPBRD4MAPK1TRPV1EP300
SCHEMBL17877277 0.82 P2RX7 (0.59) CREBBPBRD4MAPK1P2RX7TAS1R3
SCHEMBL17868232 0.81 BRD4 (0.66) CREBBPBRD4MAPK1EP300P2RX7
SCHEMBL17877245 0.81 TAS1R3 (0.59) CREBBPBRD4MAPK1P2RX7TAS1R3

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.