SCHEMBL3211666

SCHEMBL3211666

O=C(Cc1ccncc1)N1CCC2(CCNCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.55
HPGD P15428 1/20 0.55
CYP2D6 P10635 8/20 0.53
CYP3A4 P08684 7/20 0.53
CYP2C19 P33261 5/20 0.53
ALDH1A1 P00352 5/20 0.53
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
CYP2C9 P11712 6/20 0.48
CYP1A2 P05177 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
TSHR P16473 2/20 0.47
CASP1 P29466 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44

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
SCHEMBL5428790 0.80 ALDH1A1 (0.47) HSD11B1HPGDCYP2D6CYP3A4CYP2C19
SCHEMBL293023 0.79 FNTA (0.57) HSD11B1HPGDCYP2D6CYP3A4ALDH1A1
SCHEMBL19137834 0.78 OPRM1 (0.67) HSD11B1CYP2D6CYP3A4ITGB3ITGA2B
SCHEMBL19137835 0.78 OPRM1 (0.67) HSD11B1CYP2D6CYP3A4ITGB3ITGA2B
SCHEMBL4229238 0.76 GABRD (0.71) CYP2D6CYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL3211663 0.72 HPGD (0.53) HPGDCYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL8118154 0.71 SMN1; SMN2 (0.65) HPGDCYP3A4ALDH1A1CYP1A2MEN1
SCHEMBL13050668 0.71 HPGD (1.00) HPGDCYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL19159945 0.70 CYP3A4 (0.68) HPGDCYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL25931529 0.70 CYP1A2 (0.44) HSD11B1CYP2D6CYP3A4CYP1A2KDM1A

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-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US claimed

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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B HSD11B1 1346/4885HPGD 1004/4885CYP2D6 950/4885

“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.