SCHEMBL482791

SCHEMBL482791

C[C@H]1C[C@@H](OC(N)=O)c2c(ccc3oc(=O)cc(Cc4ccccc4)c23)N1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.38
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
TSHR P16473 2/20 0.34
HCAR2 Q8TDS4 1/20 0.33
TP53 P04637 1/20 0.33
PTGS2 P35354 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL482403 0.69 BRD4 (0.41) HSD17B3
SCHEMBL483265 0.67 TSHR (0.35) TSHR
SCHEMBL483271 0.64 BRD4 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL482604 0.60 NSD2 (0.43)
SCHEMBL28594987 0.60 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28586923 0.60 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28593753 0.60 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28587435 0.60 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2350338 0.58 HSD17B3 (0.70) HSD17B3TSHRALDH1A1
Diphenylmethane SCHEMBL11255043 0.57 PLA2G10 (0.59) KMT2AMEN1TSHRPOLBALDH1A1

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 HSD17B3 2095/4885KMT2A 2178/4885MEN1 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.