SCHEMBL8621801

SCHEMBL8621801

O=C1CCCc2[nH]ccc2N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
CRBN Q96SW2 2/20 0.46
NPC1 O15118 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CA9 Q16790 1/20 0.34
PARP1 P09874 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KIF11 P52732 3/20 0.33
MAPK1 P28482 1/20 0.33
AHR P35869 1/20 0.31
PDK2 Q15119 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL6099018 0.88 NPC1 (0.45) MAPTCRBNNPC1MAPK13MAPK12
SCHEMBL15828532 0.76
SCHEMBL31619130 0.75 AHR (0.42) MAPTCRBNNPC1MAPK13MAPK12
SCHEMBL706419 0.68
SCHEMBL15829265 0.68 MAPT (0.48) MAPTCRBNNPC1MAPK13MAPK12
SCHEMBL8620213 0.67 ANPEP (0.32)
SCHEMBL8623203 0.67 ALDH1A1 (0.32) MAPTCRBNTSHRALDH1A1
SCHEMBL6321531 0.67 FKBP5 (0.34) MAPTCRBN
SCHEMBL689700 0.67 MAP2K1 (0.46) MEN1KMT2APARP1MAPK1IDO1
SCHEMBL15829266 0.67 CRBN (0.44) MAPTCRBNNPC1MAPK13MAPK12

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-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
WO-2014094357-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 WO disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
US-5789587-A Heterocyclic-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1998-08-04 US disclosed
US-5606054-A Heterocyclic-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1997-02-25 US disclosed
WO-1995016692-A1 HETEROCYCLIC-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-06-22 WO 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 (1 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-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 MAPT 4520/4885CRBN 1919/4885NPC1 706/4885

“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.