SCHEMBL21169221

SCHEMBL21169221

CN(C)C(=O)N1CCN(c2cccc(O)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
DRD3 P35462 1/20 0.51
MYC P01106 1/20 0.51
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
CA2 P00918 1/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CHRM4 P08173 1/20 0.45

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
SCHEMBL11212857 0.83 DRD2 (0.56) DRD2DRD3MYCLMNAMAPT
SCHEMBL23544851 0.82 NOTUM (0.53) LMNAMAPTALDH1A1SMN1; SMN2HRH3
SCHEMBL28322335 0.82 AKR1C3 (0.59) DRD2DRD3MYCLMNAMAPT
SCHEMBL11048879 0.82 HRH3 (0.59) LMNAMAPTALDH1A1HRH3HTR1A
SCHEMBL13061008 0.81 HRH3 (0.48) LMNAMAPTALDH1A1HRH3HTR1A
SCHEMBL5399904 0.81 DRD2 (0.56) DRD2DRD3MYCLMNAMAPT
SCHEMBL23467841 0.80 DRD2 (0.55) DRD2DRD3ALDH1A1HRH3CHRM4
SCHEMBL6255120 0.80 LMNA (0.63) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL9723025 0.80 DRD2 (0.68) DRD2DRD3LMNAMAPTALDH1A1
SCHEMBL13005475 0.79 HRH3 (0.46) LMNAMAPTGAAHRH3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 DRD2 4783/4885DRD3 4791/4885MYC 306/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 DRD2 4852/4885DRD3 4860/4885MYC 262/4885

“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.