SCHEMBL19003601

SCHEMBL19003601

CCCCCC(CC)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.53
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP17A1 P05093 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NAAA Q02083 1/20 0.37
CYP2C19 P33261 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL28275300 0.98 NR1I2 (0.55) NR1I2ALDH1A1MAPTPOLBCYP3A4
SCHEMBL20098162 0.98 NR1I2 (0.55) NR1I2ALDH1A1MAPTPOLBCYP3A4
Hydrochloric Acid SCHEMBL29252979 0.96 NR1I2 (0.54) NR1I2ALDH1A1MAPTPOLBCYP3A4
SCHEMBL21755116 0.94 NR1I2 (0.46) NR1I2ALDH1A1MAPTPOLBCYP3A4
SCHEMBL18559574 0.92 ALDH1A1 (0.46) NR1I2ALDH1A1MAPTPOLBCYP3A4
SCHEMBL9227674 0.90 NR1I2 (0.46) NR1I2ALDH1A1MAPTPOLBCYP3A4
SCHEMBL18635879 0.90 NR1I2 (0.46) NR1I2ALDH1A1MAPTPOLBCYP3A4
SCHEMBL18559615 0.90 NR1I2 (0.46) NR1I2ALDH1A1MAPTPOLBCYP3A4
SCHEMBL19560021 0.90 ALDH1A1 (0.45) NR1I2ALDH1A1MAPTPOLBCYP3A4
SCHEMBL18559449 0.90 NR1I2 (0.46) NR1I2ALDH1A1MAPTPOLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-05-12 US disclosed
US-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-05-23 US disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP 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 (2 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-20190152968-A1 AZEPIN-2-ONE DERIVATIVES AS RSV INHIBITORS AZI2, FURIN, ACE2 NR1I2 647/4885ALDH1A1 1328/4885MAPT 4568/4885
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors AZI2, FURIN, ACE2 NR1I2 647/4885ALDH1A1 1328/4885MAPT 4568/4885

“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.