SCHEMBL21138877

SCHEMBL21138877

CCOC(=O)N1CCCC(c2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
LMNA P02545 1/20 0.57
HIF1A Q16665 1/20 0.57
PRMT5 O14744 3/20 0.56
WDR77 Q9BQA1 3/20 0.56
BRD4 O60885 1/20 0.55
DRD2 P14416 1/20 0.55
DRD1 P21728 1/20 0.55
DRD4 P21917 1/20 0.55
DRD5 P21918 1/20 0.55
DRD3 P35462 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
BCL9 O00512 2/20 0.53
CTNNB1 P35222 2/20 0.53
NPC1 O15118 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL21159622 0.90 BRD4 (0.61) ALDH1A1HPGDLMNAHIF1ABRD4
SCHEMBL4392358 0.89 PRMT5 (0.56) ALDH1A1HPGDLMNAHIF1APRMT5
SCHEMBL29087342 0.86 SMN1; SMN2 (0.59) ALDH1A1HPGDLMNAHIF1APRMT5
SCHEMBL28351668 0.83 PRMT5 (0.60) ALDH1A1LMNAPRMT5WDR77BRD4
SCHEMBL14035659 0.82 ALDH1A1 (0.61) ALDH1A1HPGDLMNAHIF1ADRD2
SCHEMBL6359096 0.82 ALDH1A1 (0.56) ALDH1A1HPGDLMNAHIF1APRMT5
SCHEMBL4709679 0.81 PRMT5 (0.64) ALDH1A1LMNAPRMT5WDR77BRD4
SCHEMBL248915 0.81 RAB9A (0.50) ALDH1A1HPGDLMNAHIF1ASMN1; SMN2
SCHEMBL31233182 0.81 ALDH1A1 (0.59) ALDH1A1HPGDLMNAHIF1ASMN1; SMN2
SCHEMBL4033604 0.81 BCL9 (0.81) BCL9CTNNB1

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
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A ALDH1A1 1644/4885HPGD 252/4885LMNA 2370/4885

“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.