SCHEMBL482790

SCHEMBL482790

C[C@@H]1C[C@H](OC(N)=O)c2c(ccc3oc(=O)ccc23)N1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
BRD4 O60885 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CACNA1G O43497 2/20 0.35
CACNA1H O95180 2/20 0.35
CACNA1I Q9P0X4 2/20 0.35
ACHE P22303 3/20 0.34
TP53 P04637 1/20 0.34
CAPN1 P07384 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL482835 0.72 SMN1; SMN2 (0.38) BRD4MEN1KMT2AALDH1A1TSHR
SCHEMBL482786 0.71 PTGDR2 (0.42) PTGDR2BRD4MEN1KMT2ATSHR
SCHEMBL483264 0.71 PTGDR2 (0.44) PTGDR2BRD4MEN1KMT2AALDH1A1
SCHEMBL482834 0.70 BRD4 (0.30) BRD4ALDH1A1
SCHEMBL483269 0.67 NR3C2 (0.41) PTGDR2TP53DRD4
SCHEMBL3601108 0.60 PTGDR2 (0.49) PTGDR2BRD4MEN1KMT2AALDH1A1
SCHEMBL28431888 0.59 ALDH1A1 (0.55) MEN1KMT2AALDH1A1TSHR
SCHEMBL28053454 0.59 TSHR (0.44) MEN1KMT2AALDH1A1TSHRCACNA1G
SCHEMBL19290951 0.59 TSHR (0.51) PTGDR2BRD4MEN1KMT2AALDH1A1
SCHEMBL2265298 0.59 ALDH1A1 (0.50) PTGDR2BRD4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604030-B2 Fused piperidine compound and pharmaceutical containing same KOWA COMPANY, LTD. (JP) 2013-12-10 US disclosed
US-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME KOWA COMPANY, LTD (JP) 2012-05-03 US disclosed
EP-2412710-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2012-02-01 EP 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-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME EPOR, JAK2, HBZ PTGDR2 120/4885BRD4 1271/4885MEN1 4289/4885

“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.