SCHEMBL14410729

SCHEMBL14410729

O=C1[C@@H]2CC(CN1Cc1ccccc1)N2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 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
SCHEMBL21262203 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM5TSHRHPGD
SCHEMBL21262206 0.83 TSHR (0.47) TSHRHPGDALDH1A1KMT2APOLB
SCHEMBL6775893 0.74 OPRM1 (0.49)
SCHEMBL6775421 0.73 OPRM1 (0.40) ALDH1A1KMT2AMEN1
SCHEMBL6781973 0.73 SIGMAR1 (0.46)
SCHEMBL10262574 0.72 TSHR (0.47) TSHRHPGDALDH1A1KMT2APOLB
SCHEMBL21789645 0.72 TSHR (0.51) CHRM2CHRM4CHRM5TSHRHPGD
SCHEMBL6202791 0.71 TSHR (0.58) TSHRHPGDALDH1A1KMT2ACYP2C19
SCHEMBL1920902 0.70 TSHR (0.45) TSHRHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL14410727 0.70 TSHR (0.45) TSHRHPGDALDH1A1KMT2ACYP2C19

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 CHRM2 251/4885CHRM4 691/4885CHRM5 273/4885

“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.