SCHEMBL19248199

SCHEMBL19248199

O=C(N1CCC(c2c[nH]cn2)CC1)N1CCCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.66
SMO Q99835 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
NOTUM Q6P988 1/20 0.45
TSHR P16473 1/20 0.45
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL4161275 0.86 HSD11B1 (0.58) HSD11B1SMONOTUMKMT2A
SCHEMBL5421718 0.80 HSD11B1 (0.78) HSD11B1SMOSMN1; SMN2POLBNOTUM
SCHEMBL30756735 0.79 HSD11B1 (1.00) HSD11B1SMOSMN1; SMN2POLBNOTUM
SCHEMBL26657989 0.79 HSD11B1 (1.00) HSD11B1SMOSMN1; SMN2POLBNOTUM
SCHEMBL1854997 0.78 HSD11B1 (0.79) HSD11B1SMOSMN1; SMN2POLBNOTUM
SCHEMBL28780902 0.78 HSD11B1 (1.00) HSD11B1SMO
SCHEMBL1860172 0.78 HSD11B1 (0.62) HSD11B1SMOSMN1; SMN2POLBTSHR
SCHEMBL3455811 0.77 CHRM2 (0.47) HSD11B1POLBTSHRALDH1A1
Hydrochloric Acid SCHEMBL1857334 0.77 HSD11B1 (0.78) HSD11B1SMOSMN1; SMN2POLBNOTUM
SCHEMBL1857637 0.77 HSD11B1 (1.00) HSD11B1SMOSMN1; SMN2POLBNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039772-B2 Methods and compositions for treating alcohol use disorders SANNA PIETRO PAOLO (US) 2018-08-07 US disclosed
US-10039772-B2 Methods and compositions for treating alcohol use disorders SANNA PIETRO PAOLO (US) 2018-08-07 US disclosed
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS SANNA PIETRO PAOLO (US) 2017-08-17 US disclosed
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS SANNA PIETRO PAOLO (US) 2017-08-17 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 (2 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-10039772-B2 Methods and compositions for treating alcohol use disorders HSD3B1, HSD11B1, HSD3B2 HSD11B1 2/4885SMO 4339/4885SMN1; SMN2 4743/4885
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS HSD3B1, HSD11B1, HSD3B2 HSD11B1 2/4885SMO 4339/4885SMN1; SMN2 4743/4885

“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.