SCHEMBL20355702

SCHEMBL20355702

CN1CCCn2c(nc3ccccc32)C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.52
ALDH1A1 P00352 1/20 0.51
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL17809495 0.90 GRM2 (0.58) GRM2ALDH1A1TSHRHTTL3MBTL1
SCHEMBL20082374 0.79 TSHR (0.51) GRM2ALDH1A1TSHRHTTL3MBTL1
SCHEMBL503163 0.78 ALDH1A1 (0.60) GRM2ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL21202394 0.76 ALDH1A1 (0.48) GRM2ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL840083 0.76 MEN1 (0.59) GRM2ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL10830714 0.75 MEN1 (0.62) ALDH1A1L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL11644774 0.73 MEN1 (0.60) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7679420 0.73 MAPT (0.57) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL8355374 0.73 GRM2 (0.50) GRM2ALDH1A1TSHRHTTL3MBTL1
SCHEMBL14191672 0.73 ALDH1A1 (0.56) GRM2ALDH1A1TSHRHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180185383-A1 IMIDAZODIAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2018-07-05 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 (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-20180185383-A1 IMIDAZODIAZEPINE COMPOUND HTR1D, DRD2, DRD1 GRM2 38/4885ALDH1A1 1637/4885TSHR 798/4885

“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.