SCHEMBL5428564

SCHEMBL5428564

N[C@@H]1C[C@H](N)CN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
MAPT P10636 5/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PRMT3 O60678 1/20 0.48
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
PRMT1 Q99873 1/20 0.48
PRMT8 Q9NR22 1/20 0.48
CCR3 P51677 2/20 0.48
HTT P42858 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
GFER P55789 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL14503465 0.82 TSHR (0.74) TSHRMAPTLMNASMN1; SMN2PRMT3
SCHEMBL14428475 0.78 TSHR (0.38) TSHR
SCHEMBL5384617 0.78 MAPT (0.50) TSHRMAPTLMNASMN1; SMN2HTT
SCHEMBL5383311 0.77 HRH4 (0.40) TSHRMEN1KMT2A
SCHEMBL8119586 0.76 TSHR (0.64) TSHRMAPTLMNASMN1; SMN2PRMT3
SCHEMBL5401329 0.73 HRH4 (0.44) TSHRMEN1KMT2A
SCHEMBL1124028 0.73 TSHR (0.79) TSHRMAPTLMNASMN1; SMN2HTT
SCHEMBL1124120 0.73 TSHR (0.79) TSHRMAPTLMNASMN1; SMN2HTT
SCHEMBL5391907 0.72 SMPD3 (0.36) TSHRNPSR1HSD17B10
SCHEMBL14503441 0.72 SMPD3 (0.36) TSHRNPSR1HSD17B10

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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 TSHR 4325/4885MAPT 2536/4885LMNA 4065/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD TSHR 3906/4885MAPT 2630/4885LMNA 4008/4885

“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.