SCHEMBL14410727

SCHEMBL14410727

O=C1[C@@H]2CC(CN1Cc1ccccc1)N2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
HPGD P15428 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCKBR P32239 1/20 0.40

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
SCHEMBL21262205 1.00 TSHR (0.45) TSHRHPGDEHMT2DDB1CRBN
SCHEMBL10262574 0.73 TSHR (0.47) TSHRHPGDEHMT2DDB1CRBN
SCHEMBL21789645 0.73 TSHR (0.51) TSHRHPGDEHMT2DDB1CRBN
SCHEMBL5881507 0.73 DDB1 (0.46) TSHRHPGDDDB1CRBNALDH1A1
SCHEMBL1006409 0.73 DDB1 (0.46) TSHRHPGDDDB1CRBNALDH1A1
SCHEMBL4678690 0.73 DDB1 (0.46) TSHRHPGDDDB1CRBNALDH1A1
SCHEMBL7001415 0.73 ALDH1A1 (0.48) ALDH1A1
SCHEMBL6202791 0.73 TSHR (0.58) TSHRHPGDEHMT2DDB1CRBN
SCHEMBL402305 0.72 FUCA1 (0.56) ALDH1A1
SCHEMBL3931239 0.72 FUCA1 (0.56) ALDH1A1

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-20070225492-A1 3,6-Diazabicyclo[3.1.1]Heptane Derivatives with Analgesic Activity UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2007-09-27 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-20070225492-A1 3,6-Diazabicyclo[3.1.1]Heptane Derivatives with Analgesic Activity OPRK1, OPRM1, OPRD1 TSHR 2604/4885HPGD 636/4885EHMT2 3365/4885

“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.