SCHEMBL6074555

SCHEMBL6074555

O=C1CCN(c2ccc(NC(=O)CCl)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.73
SMN1; SMN2 Q16637 6/20 0.73
ALDH1A1 P00352 6/20 0.73
LMNA P02545 2/20 0.73
HTT P42858 3/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 3/20 0.50
TP53 P04637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NR4A1 P22736 1/20 0.49
MITF O75030 2/20 0.49
XBP1 P17861 1/20 0.49
NOD2 Q9HC29 1/20 0.49
CACNA1G O43497 1/20 0.48
POLB P06746 2/20 0.48
RAD52 P43351 1/20 0.48

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
SCHEMBL27921913 0.84 MAPT (1.00) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL22777865 0.84 MAPT (1.00) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL5904008 0.83 MAPT (0.75) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL6075470 0.82 SMN1; SMN2 (0.74) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL9099028 0.81 MAPT (0.71) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL27598434 0.80 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL7302053 0.80 MAPT (0.73) MAPTALDH1A1HTTKDM4ENPSR1
SCHEMBL27022350 0.79 MAPT (0.71) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL27921853 0.78 LMNA (0.68) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL6074803 0.78 TSHR (0.56) MAPTSMN1; SMN2ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
CN-1455771-A Cyclic amine phenyl Beta-3 adrenergic receptor agonists WYETH LTD (US) 2003-11-12 CN disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MAPT 565/4885SMN1; SMN2 3999/4885ALDH1A1 1091/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MAPT 565/4885SMN1; SMN2 3999/4885ALDH1A1 1091/4885

“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.